Chembase list of 866358 unique molecular structures

3-{[4-({[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxy}carbonyl)phenyl]carbamoyl}prop...

$$$$ Data

M. F.

C21H21NO7

Suppliers	Catalog Number
Matrix Scientific	077172

Database	Data ID
PubChem	66524071

M. W.

399.39394

CAS

Similarity

N/A

ID: 71552

4-[(4-{[2-(4-methoxyphenyl)-2-oxoethoxy]carbonyl}phenyl)carbamoyl]butanoic acid

$$$$ Data

M. F.

C21H21NO7

Suppliers	Catalog Number
Matrix Scientific	077173

Database	Data ID
PubChem	1218839

M. W.

399.39394

CAS

Similarity

N/A

ID: 71553

4-[(4-{[2-(4-chlorophenyl)-2-oxoethoxy]carbonyl}phenyl)carbamoyl]butanoic acid

$$$$ Data

M. F.

C20H18ClNO6

Suppliers	Catalog Number
Matrix Scientific	077174

Database	Data ID
PubChem	1218840

M. W.

403.81302

CAS

Similarity

N/A

ID: 71554

5-phenylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid

$$$$ Data

M. F.

C15H16O4

Suppliers	Catalog Number
Matrix Scientific	077175

Database	Data ID
PubChem	12553359

M. W.

260.28514

CAS

Similarity

N/A

ID: 71555

4-{[(3,5-dimethylphenyl)amino]methyl}-4-azatricyclo[5.2.1.0²,⁶

$$$$ Data

M. F.

C18H20N2O2

Suppliers	Catalog Number
Matrix Scientific	077176

Database	Data ID
PubChem	66524072

M. W.

296.3636

CAS

Similarity

N/A

ID: 71556

4-{[(4-bromophenyl)amino]methyl}-4-azatricyclo[5.2.1.0²,⁶]...

$$$$ Data

M. F.

C16H15BrN2O2

Suppliers	Catalog Number
Matrix Scientific	077177

Database	Data ID
PubChem	548814

M. W.

347.2065

CAS

Similarity

N/A

ID: 71557

4-({[3-(trifluoromethyl)phenyl]amino}methyl)-4-azatricyclo[5.2.1.0²,<...

$$$$ Data

M. F.

C17H15F3N2O2

Suppliers	Catalog Number
Matrix Scientific	077178

Database	Data ID
PubChem	66524073

M. W.

336.3084096

CAS

Similarity

N/A

ID: 71558

4-{[(4-ethylphenyl)amino]methyl}-4-azatricyclo[5.2.1.0²,⁶]...

$$$$ Data

M. F.

C18H20N2O2

Suppliers	Catalog Number
Matrix Scientific	077179

Database	Data ID
PubChem	66524074

M. W.

296.3636

CAS

Similarity

N/A

ID: 71559

4-{[(3-chloro-2-methylphenyl)amino]methyl}-4-azatricyclo[5.2.1.0²,

$$$$ Data

M. F.

C17H17ClN2O2

Suppliers	Catalog Number
Matrix Scientific	077180

Database	Data ID
PubChem	66524069

M. W.

316.78208

CAS

Similarity

N/A

ID: 71560

2-{[(4-bromo-2-methylphenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C16H13BrN2O2

Suppliers	Catalog Number
Matrix Scientific	077181

Database	Data ID
PubChem	2731202

M. W.

345.19062

CAS

Similarity

N/A

ID: 71561

2-{[(4-bromo-2-ethylphenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C17H15BrN2O2

Suppliers	Catalog Number
Matrix Scientific	077182

Database	Data ID
PubChem	66524070

M. W.

359.2172

CAS

Similarity

N/A

ID: 71562

N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-fluoroaniline

$$$$ Data

M. F.

C13H11FN4

Suppliers	Catalog Number
Matrix Scientific	077183

Database	Data ID
PubChem	805385

M. W.

242.2516432

CAS

Similarity

N/A

ID: 71563

2-(methoxycarbonyl)cyclohexane-1-carboxylic acid

$$$$ Data

M. F.

C9H14O4

Suppliers	Catalog Number
Matrix Scientific	077184

Database	Data ID
PubChem	3255762

M. W.

186.20506

CAS

Similarity

N/A

ID: 71564

4-cyanooxane-4-carboxylic acid

$$$$ Data

M. F.

C7H9NO3

Suppliers	Catalog Number
ChemBridge	4044591
Matrix Scientific	077185
Enamine	EN300-74089

Database	Data ID
PubChem	15606290

M. W.

155.15126

CAS

848821-06-7

Similarity

N/A

ID: 71565

4-benzyloxane-4-carboxylic acid

$$$$ Data

M. F.

C13H16O3

Suppliers	Catalog Number
Matrix Scientific	077186

Database	Data ID
PubChem	56828197

M. W.

220.26434

CAS

Similarity

N/A

ID: 71566

4-(2H-1,3-benzodioxol-5-ylmethyl)oxane-4-carboxylic acid

$$$$ Data

M. F.

C14H16O5

Suppliers	Catalog Number
Matrix Scientific	077187

Database	Data ID
PubChem	56763744

M. W.

264.27384

CAS

Similarity

N/A

ID: 71567

4-[(2-fluorophenyl)methyl]oxane-4-carboxylic acid

$$$$ Data

M. F.

C13H15FO3

Suppliers	Catalog Number
Matrix Scientific	077188

Database	Data ID
PubChem	55131991

M. W.

238.2548032

CAS

Similarity

N/A

ID: 71568

4-[(2-iodophenyl)methyl]oxane-4-carboxylic acid

$$$$ Data

M. F.

C13H15IO3

Suppliers	Catalog Number
Matrix Scientific	077189

Database	Data ID
PubChem	56763745

M. W.

346.16087

CAS

Similarity

N/A

ID: 71569

4-[(2-bromophenyl)methyl]oxane-4-carboxylic acid

$$$$ Data

M. F.

C13H15BrO3

Suppliers	Catalog Number
Matrix Scientific	077190

Database	Data ID
PubChem	46958582

M. W.

299.1604

CAS

Similarity

N/A

ID: 71570

4-[(2-chlorophenyl)methyl]oxane-4-carboxylic acid

$$$$ Data

M. F.

C13H15ClO3

Suppliers	Catalog Number
Matrix Scientific	077191

Database	Data ID
PubChem	55132186

M. W.

254.7094

CAS

Similarity

N/A

ID: 71571

4-[(4-bromophenyl)methyl]oxane-4-carboxylic acid

$$$$ Data

M. F.

C13H15BrO3

Suppliers	Catalog Number
Matrix Scientific	077192

Database	Data ID
PubChem	56828198

M. W.

299.1604

CAS

Similarity

N/A

ID: 71572

4-(oxan-4-yl)hepta-1,6-dien-4-amine

$$$$ Data

M. F.

C12H21NO

Suppliers	Catalog Number
Matrix Scientific	077193

Database	Data ID
PubChem	56763746

M. W.

195.30124

CAS

Similarity

N/A

ID: 71573

(2Z)-3-(5-amino-1H-1,2,4-triazol-3-yl)prop-2-enoic acid; nitric acid

$$$$ Data

M. F.

C5H7N5O5

Suppliers	Catalog Number
Matrix Scientific	077194

Database	Data ID
PubChem	71299893

M. W.

217.13958

CAS

Similarity

N/A

ID: 71574

1-benzyl-5-methyl-3-phenyl-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C18H16N2O2

Suppliers	Catalog Number
Matrix Scientific	077195
InterBioScreen	BB_SC-10016

Database	Data ID
PubChem	56723867

M. W.

292.33184

CAS

Similarity

N/A

ID: 71575

3-(3-chloro-1,2-oxazol-5-yl)propanamide

$$$$ Data

M. F.

C6H7ClN2O2

Suppliers	Catalog Number
Matrix Scientific	077196
InterBioScreen	BB_SC-10021

Database	Data ID
PubChem	56723819

M. W.

174.58498

CAS

Similarity

N/A

ID: 71576

N,N,3-trimethylbutanamide

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
Matrix Scientific	077197

Database	Data ID
PubChem	4635762

M. W.

129.2001

CAS

Similarity

N/A

ID: 71577

4H-1,2,4-triazole-3,5-diamine

$$$$ Data More

M. F.

C2H5N5

Suppliers	Catalog Number
Sigma Aldrich	D1022 D26202 33410
Alfa Aesar	B22775
Matrix Scientific	077198

Database	Data ID
PubChem	15078

M. W.

99.0946

CAS

1455-77-2

Similarity

N/A

ID: 71578

2-nitropropan-1-ol

$$$$ Data More

M. F.

C3H7NO3

Suppliers	Catalog Number
Sigma Aldrich	147591 73805
MP Biomedicals	05225392
Alfa Aesar	43843

Database	Data ID
PubChem	92187

M. W.

105.09258

CAS

2902-96-7

Similarity

N/A

ID: 71579

1-(ethylamino)propan-2-ol

$$$$ Data

M. F.

C5H13NO

Suppliers	Catalog Number
Matrix Scientific	077200
Enamine	EN300-55326

Database	Data ID
PubChem	3016164

M. W.

103.16282

CAS

Similarity

N/A

ID: 71580

2-(2-chloroethyl)-1H-1,3-benzodiazole hydrochloride

$$$$ Data

M. F.

C9H10Cl2N2

Suppliers	Catalog Number
Matrix Scientific	077201

Database	Data ID
PubChem	71299238

M. W.

217.0951

CAS

405173-97-9

Similarity

N/A

ID: 71581

potassium 1,3-benzoxazole-2-carboxylate

$$$$ Data

M. F.

C8H4KNO3

Suppliers	Catalog Number
Matrix Scientific	077202

Database	Data ID
PubChem	71299239

M. W.

201.22056

CAS

21598-08-3

Similarity

N/A

ID: 71582

3-(chloromethyl)-1-methylpyrrolidine hydrochloride

$$$$ Data

M. F.

C6H13Cl2N

Suppliers	Catalog Number
Matrix Scientific	077203

Database	Data ID
PubChem	20387390

M. W.

170.08012

CAS

58689-43-3

Similarity

N/A

ID: 71583

N-[4-fluoro-2-(propan-2-yloxy)phenyl]pyrrolidine-1-carbothioamide

$$$$ Data

M. F.

C14H19FN2OS

Suppliers	Catalog Number
Matrix Scientific	077204

Database	Data ID
PubChem	56763748

M. W.

282.3768632

CAS

Similarity

N/A

ID: 71584

4-amino-3-[(2-amino-5-carboxyphenyl)disulfanyl]benzoic acid

$$$$ Data

M. F.

C14H12N2O4S2

Suppliers	Catalog Number
Matrix Scientific	077205

Database	Data ID
PubChem	16043554

M. W.

336.38608

CAS

Similarity

N/A

ID: 71585

N-cyclohexylidenehydroxylamine

$$$$ Data More

M. F.

C6H11NO

Suppliers	Catalog Number
Sigma Aldrich	C102202 29180
MP Biomedicals	05211911
Alfa Aesar	A19820

Database	Data ID
PubChem	7517

M. W.

113.15764

CAS

100-64-1

Similarity

N/A

ID: 71586

4-[2-(4-methoxyphenyl)diazen-1-yl]benzene-1,3-diamine

$$$$ Data

M. F.

C13H14N4O

Suppliers	Catalog Number
MP Biomedicals	05208444
Matrix Scientific	077207

Database	Data ID
PubChem	572485

M. W.

242.27646

CAS

68936-13-0

Similarity

N/A

ID: 71587

2-[4-(dimethylamino)phenyl]-7-(trifluoromethyl)-2,3-dihydro-1,2,4-benzotriazin-3...

$$$$ Data

M. F.

C16H13F3N4O

Suppliers	Catalog Number
Matrix Scientific	077208

Database	Data ID
PubChem	56763749

M. W.

334.2958296

CAS

Similarity

N/A

ID: 71588

4-[(E)-2-[2-chloro-5-(trifluoromethyl)phenyl]diazen-1-yl]-N,N-dimethylaniline

$$$$ Data

M. F.

C15H13ClF3N3

Suppliers	Catalog Number
Matrix Scientific	077209

Database	Data ID
PubChem	56763750

M. W.

327.7320296

CAS

Similarity

N/A

ID: 71589

N-(pyridin-3-yl)acetamide

$$$$ Data More

M. F.

C7H8N2O

Suppliers	Catalog Number
Matrix Scientific	077210
Apollo Scientific	OR21124
InterBioScreen	BB_SC-9458

Database	Data ID
PubChem	79978

M. W.

136.15122

CAS

5867-45-8

Similarity

N/A

ID: 71590

N,N-dimethyl-4-[(E)-2-(2-nitrophenyl)diazen-1-yl]aniline

$$$$ Data

M. F.

C14H14N4O2

Suppliers	Catalog Number
Matrix Scientific	077211

Database	Data ID
PubChem	18166

M. W.

270.28656

CAS

Similarity

N/A

ID: 71591

4-[(E)-2-phenyldiazen-1-yl]benzene-1,3-diamine

$$$$ Data

M. F.

C12H12N4

Suppliers	Catalog Number
Matrix Scientific	077212

Database	Data ID
PubChem	10317

M. W.

212.25048

CAS

495-54-5

Similarity

N/A

ID: 71592

N-(2-amino-5-methylphenyl)acetamide

$$$$ Data

M. F.

C9H12N2O

Suppliers	Catalog Number
Matrix Scientific	077213

Database	Data ID
PubChem	13032407

M. W.

164.20438

CAS

Similarity

N/A

ID: 71593

N-(2-amino-4-bromophenyl)acetamide

$$$$ Data

M. F.

C8H9BrN2O

Suppliers	Catalog Number
Matrix Scientific	077214
Enamine	EN300-64048

Database	Data ID
PubChem	13695058

M. W.

229.07386

CAS

Similarity

N/A

ID: 71594

N-(4-methyl-2-nitrophenyl)acetamide

$$$$ Data

M. F.

C9H10N2O3

Suppliers	Catalog Number
Matrix Scientific	077215
TRC	M323540

Database	Data ID
PubChem	69162

M. W.

194.1873

CAS

612-45-3

Similarity

N/A

ID: 71595

5,7-dibromo-3-oxo-3,4-dihydro-1,2,4-benzotriazin-1-ium-1-olate

$$$$ Data

M. F.

C7H3Br2N3O2

Suppliers	Catalog Number
Matrix Scientific	077216

Database	Data ID
PubChem	56763751

M. W.

320.92562

CAS

Similarity

N/A

ID: 71596

3-(chloromethyl)-1-ethylpyrrolidine hydrochloride

$$$$ Data

M. F.

C7H15Cl2N

Suppliers	Catalog Number
Matrix Scientific	077217

Database	Data ID
PubChem	71299240

M. W.

184.1067

CAS

98338-34-2

Similarity

N/A

ID: 71597

3-aminohexanoic acid hydrochloride

$$$$ Data

M. F.

C6H14ClNO2

Suppliers	Catalog Number
Matrix Scientific	077218

Database	Data ID
PubChem	45262185

M. W.

167.63386

CAS

Similarity

N/A

ID: 71598

2-(methylamino)butanenitrile

$$$$ Data

M. F.

C5H10N2

Suppliers	Catalog Number
Matrix Scientific	077219

Database	Data ID
PubChem	13062961

M. W.

98.1463

CAS

Similarity

N/A

ID: 71599

3-(1H-pyrazol-1-yl)propan-1-ol

$$$$ Data

M. F.

C6H10N2O

Suppliers	Catalog Number
ChemBridge	4010681
Matrix Scientific	077220
Enamine	EN300-72638

Database	Data ID
PubChem	17608730

M. W.

126.1564

CAS

180741-37-1

Similarity

N/A

ID: 71600

7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine hydrochloride

$$$$ Data

M. F.

C6H8ClN5

Suppliers	Catalog Number
Matrix Scientific	077221

Database	Data ID
PubChem	71299894

M. W.

185.61422

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified