Chembase list of 866358 unique molecular structures

1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C12H12N2O4

Suppliers	Catalog Number
Matrix Scientific	064287

Database	Data ID
PubChem	4914567

M. W.

248.23468

CAS

Similarity

N/A

ID: 59102

5-[2-(phenylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C10H11N3S2

Suppliers	Catalog Number
Matrix Scientific	064288

Database	Data ID
PubChem	17604488

M. W.

237.34444

CAS

Similarity

N/A

ID: 59103

5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C10H11N3S

Suppliers	Catalog Number
ChemBridge	9070972
Matrix Scientific	064289
Enamine	EN300-71710

Database	Data ID
PubChem	3786709

M. W.

205.27944

CAS

39181-45-8

Similarity

N/A

ID: 59104

5-(propoxymethyl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C6H11N3OS

Suppliers	Catalog Number
Matrix Scientific	064290

Database	Data ID
PubChem	51342161

M. W.

173.23604

CAS

Similarity

N/A

ID: 59105

5-(1-propoxyethyl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C7H13N3OS

Suppliers	Catalog Number
Matrix Scientific	064291

Database	Data ID
PubChem	51342162

M. W.

187.26262

CAS

Similarity

N/A

ID: 59106

1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C12H12ClNO4

Suppliers	Catalog Number
Matrix Scientific	064292
Enamine	EN300-11374

Database	Data ID
PubChem	4533987

M. W.

269.68098

CAS

63675-21-8

Similarity

N/A

ID: 59107

5-hydroxy-1-[2-(propan-2-yl)phenyl]pyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C14H19NO3

Suppliers	Catalog Number
Matrix Scientific	064293

Database	Data ID
PubChem	51342163

M. W.

249.30556

CAS

Similarity

N/A

ID: 59108

5-(butan-2-ylsulfanyl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C6H11N3S2

Suppliers	Catalog Number
Matrix Scientific	064294

Database	Data ID
PubChem	583583

M. W.

189.30164

CAS

Similarity

N/A

ID: 59109

2-(4-methylbenzenesulfonyl)acetic acid

$$$$ Data

M. F.

C9H10O4S

Suppliers	Catalog Number
Alfa Aesar	L02102
Matrix Scientific	064295

Database	Data ID
PubChem	77538

M. W.

214.2383

CAS

3937-96-0

Similarity

N/A

ID: 59110

ethyl 2-(azocan-1-yl)-2-oxoacetate

$$$$ Data

M. F.

C11H19NO3

Suppliers	Catalog Number
Matrix Scientific	064296

Database	Data ID
PubChem	51342164

M. W.

213.27346

CAS

Similarity

N/A

ID: 59111

ethyl 2-oxo-2-(pyrrolidin-1-yl)acetate

$$$$ Data

M. F.

C8H13NO3

Suppliers	Catalog Number
Matrix Scientific	064297

Database	Data ID
PubChem	3413436

M. W.

171.19372

CAS

Similarity

N/A

ID: 59112

2,3-dihydroxybenzonitrile

$$$$ Data

M. F.

C7H5NO2

Suppliers	Catalog Number
Matrix Scientific	064298
Bide Pharmatech	BD65740
A&J Pharmtech	AJA-O5564

Database	Data ID
PubChem	3017820

M. W.

135.1201

CAS

67984-81-0

Similarity

N/A

ID: 59113

4-(2-phenylacetamido)benzoic acid

$$$$ Data

M. F.

C15H13NO3

Suppliers	Catalog Number
Matrix Scientific	064299

Database	Data ID
PubChem	785682

M. W.

255.26862

CAS

Similarity

N/A

ID: 59114

1-(diethylcarbamoyl)piperidine-4-carboxylic acid

$$$$ Data

M. F.

C11H20N2O3

Suppliers	Catalog Number
Matrix Scientific	064300
Enamine	EN300-37255

Database	Data ID
PubChem	19992326

M. W.

228.2881

CAS

Similarity

N/A

ID: 59115

1,2-benzoxazol-7-ol

$$$$ Data

M. F.

C7H5NO2

Suppliers	Catalog Number
ChemBridge	4041159
Matrix Scientific	064301

Database	Data ID
PubChem	21469959

M. W.

135.1201

CAS

55559-31-4

Similarity

N/A

ID: 59116

2-propoxypropanoic acid

$$$$ Data

M. F.

C6H12O3

Suppliers	Catalog Number
ChemBridge	4020872
Matrix Scientific	064302

Database	Data ID
PubChem	14495546

M. W.

132.15768

CAS

56674-67-0

Similarity

N/A

ID: 59117

2-propoxyacetic acid

$$$$ Data

M. F.

C5H10O3

Suppliers	Catalog Number
ChemBridge	4020861
Matrix Scientific	064303
Enamine	EN300-56303

Database	Data ID
PubChem	100383

M. W.

118.1311

CAS

54497-00-6

Similarity

N/A

ID: 59118

(diethylcarbamoyl)formic acid

$$$$ Data

M. F.

C6H11NO3

Suppliers	Catalog Number
ChemBridge	4028867
Matrix Scientific	064304

Database	Data ID
PubChem	4180752

M. W.

145.15644

CAS

55441-26-4

Similarity

N/A

ID: 59119

ethyl (diethylcarbamoyl)formate

$$$$ Data

M. F.

C8H15NO3

Suppliers	Catalog Number
MP Biomedicals	05223548
Matrix Scientific	064305

Database	Data ID
PubChem	138489

M. W.

173.2096

CAS

5411-58-5

Similarity

N/A

ID: 59120

1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C13H15NO5

Suppliers	Catalog Number
Matrix Scientific	064306
InterBioScreen	BB_SC-5284
Enamine	EN300-31367

Database	Data ID
PubChem	5144097

M. W.

265.2619

CAS

Similarity

N/A

ID: 59121

1-[2-(methoxycarbonyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C13H13NO5

Suppliers	Catalog Number
Matrix Scientific	064307

Database	Data ID
PubChem	2966897

M. W.

263.24602

CAS

Similarity

N/A

ID: 59122

1-(2-carboxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C12H11NO5

Suppliers	Catalog Number
Matrix Scientific	064308

Database	Data ID
PubChem	51342165

M. W.

249.21944

CAS

Similarity

N/A

ID: 59123

1-[4-(butan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C15H19NO3

Suppliers	Catalog Number
Matrix Scientific	064309

Database	Data ID
PubChem	2926992

M. W.

261.31626

CAS

Similarity

N/A

ID: 59124

2-oxo-2-(pyrrolidin-1-yl)acetic acid

$$$$ Data

M. F.

C6H9NO3

Suppliers	Catalog Number
ChemBridge	4030570
Matrix Scientific	064310

Database	Data ID
PubChem	3150858

M. W.

143.14056

CAS

49791-37-9

Similarity

N/A

ID: 59125

(cycloheptylcarbamoyl)formic acid

$$$$ Data

M. F.

C9H15NO3

Suppliers	Catalog Number
ChemBridge	4030216
Matrix Scientific	064311

Database	Data ID
PubChem	28065068

M. W.

185.2203

CAS

1018243-04-3

Similarity

N/A

ID: 59126

2-(2-ethylpiperidin-1-yl)-2-oxoacetic acid

$$$$ Data

M. F.

C9H15NO3

Suppliers	Catalog Number
Matrix Scientific	064312

Database	Data ID
PubChem	43445035

M. W.

185.2203

CAS

Similarity

N/A

ID: 59127

2-[(4-acetamidophenyl)amino]acetic acid

$$$$ Data

M. F.

C10H12N2O3

Suppliers	Catalog Number
Matrix Scientific	064313

Database	Data ID
PubChem	220767

M. W.

208.21388

CAS

Similarity

N/A

ID: 59128

{[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}formic acid

$$$$ Data

M. F.

C9H13N3O3S

Suppliers	Catalog Number
Matrix Scientific	064314

Database	Data ID
PubChem	51138218

M. W.

243.28282

CAS

Similarity

N/A

ID: 59129

({5-[(3-phenylpropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)formic acid

$$$$ Data

M. F.

C13H13N3O3S2

Suppliers	Catalog Number
Matrix Scientific	064315

Database	Data ID
PubChem	51138219

M. W.

323.39062

CAS

Similarity

N/A

ID: 59130

5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C5H9N3OS

Suppliers	Catalog Number
ChemBridge	4041188
Matrix Scientific	064316

Database	Data ID
PubChem	12799741

M. W.

159.20946

CAS

79885-43-1

Similarity

N/A

ID: 59131

ethyl 2-(4-methyl-1H-pyrazol-1-yl)acetate

$$$$ Data

M. F.

C8H12N2O2

Suppliers	Catalog Number
Matrix Scientific	064317

Database	Data ID
PubChem	17854463

M. W.

168.19308

CAS

1179961-81-9

Similarity

N/A

ID: 59132

2-(4-methyl-1H-pyrazol-1-yl)acetonitrile

$$$$ Data

M. F.

C6H7N3

Suppliers	Catalog Number
Matrix Scientific	064318

Database	Data ID
PubChem	19620682

M. W.

121.13988

CAS

Similarity

N/A

ID: 59133

3-(4-methyl-1H-pyrazol-1-yl)propanenitrile

$$$$ Data

M. F.

C7H9N3

Suppliers	Catalog Number
Matrix Scientific	064319
Enamine	EN300-51709

Database	Data ID
PubChem	4773714

M. W.

135.16646

CAS

Similarity

N/A

ID: 59134

methyl 3-(4-methyl-1H-pyrazol-1-yl)propanoate

$$$$ Data

M. F.

C8H12N2O2

Suppliers	Catalog Number
Matrix Scientific	064320

Database	Data ID
PubChem	51342166

M. W.

168.19308

CAS

Similarity

N/A

ID: 59135

2-(4-methyl-1H-pyrazol-1-yl)ethan-1-amine

$$$$ Data

M. F.

C6H11N3

Suppliers	Catalog Number
ChemBridge	4026810
Matrix Scientific	064321
Enamine	EN300-71140

Database	Data ID
PubChem	19616598

M. W.

125.17164

CAS

1006458-47-4

Similarity

N/A

ID: 59136

2-(4-methyl-1H-pyrazol-1-yl)propanamide

$$$$ Data

M. F.

C7H11N3O

Suppliers	Catalog Number
Matrix Scientific	064322

Database	Data ID
PubChem	51342167

M. W.

153.18174

CAS

Similarity

N/A

ID: 59137

2-(4-methyl-1H-pyrazol-1-yl)propanehydrazide

$$$$ Data

M. F.

C7H12N4O

Suppliers	Catalog Number
Matrix Scientific	064323

Database	Data ID
PubChem	17024800

M. W.

168.19638

CAS

Similarity

N/A

ID: 59138

2-(4-methyl-1H-pyrazol-1-yl)acetamide

$$$$ Data

M. F.

C6H9N3O

Suppliers	Catalog Number
Matrix Scientific	064324

Database	Data ID
PubChem	51342168

M. W.

139.15516

CAS

Similarity

N/A

ID: 59139

2-(4-methyl-1H-pyrazol-1-yl)acetohydrazide

$$$$ Data

M. F.

C6H10N4O

Suppliers	Catalog Number
Matrix Scientific	064325

Database	Data ID
PubChem	7018408

M. W.

154.1698

CAS

Similarity

N/A

ID: 59140

ethyl 2-(4-methyl-1H-pyrazol-1-yl)butanoate

$$$$ Data

M. F.

C10H16N2O2

Suppliers	Catalog Number
Matrix Scientific	064326

Database	Data ID
PubChem	25248356

M. W.

196.24624

CAS

Similarity

N/A

ID: 59141

2-(4-methyl-1H-pyrazol-1-yl)butanoic acid

$$$$ Data

M. F.

C8H12N2O2

Suppliers	Catalog Number
Matrix Scientific	064327
Enamine	EN300-92578

Database	Data ID
PubChem	25248313

M. W.

168.19308

CAS

Similarity

N/A

ID: 59142

2-(4-methyl-1H-pyrazol-1-yl)butanehydrazide

$$$$ Data

M. F.

C8H14N4O

Suppliers	Catalog Number
Matrix Scientific	064328

Database	Data ID
PubChem	51342169

M. W.

182.22296

CAS

Similarity

N/A

ID: 59143

2-(4-methyl-1H-pyrazol-1-yl)butanamide

$$$$ Data

M. F.

C8H13N3O

Suppliers	Catalog Number
Matrix Scientific	064329

Database	Data ID
PubChem	25248325

M. W.

167.20832

CAS

Similarity

N/A

ID: 59144

ethyl 2,6-dimethylquinoline-3-carboxylate

$$$$ Data

M. F.

C14H15NO2

Suppliers	Catalog Number
Matrix Scientific	064330
Apollo Scientific	OR3641
A&J Pharmtech	AJA-O39887

Database	Data ID
PubChem	17039608

M. W.

229.2744

CAS

892874-63-4

Similarity

N/A

ID: 59145

ethyl 6-methoxy-2-methylquinoline-3-carboxylate

$$$$ Data

M. F.

C14H15NO3

Suppliers	Catalog Number
Matrix Scientific	064331
A&J Pharmtech	AJA-O35148

Database	Data ID
PubChem	618636

M. W.

245.2738

CAS

86210-92-6

Similarity

N/A

ID: 59146

N-(propan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide

$$$$ Data

M. F.

C11H16N2O2S

Suppliers	Catalog Number
Matrix Scientific	064332

Database	Data ID
PubChem	17608910

M. W.

240.32194

CAS

Similarity

N/A

ID: 59147

5-[(4-methylpiperazin-1-yl)sulfonyl]-2,3-dihydro-1H-indole

$$$$ Data

M. F.

C13H19N3O2S

Suppliers	Catalog Number
Matrix Scientific	064333
Enamine	EN300-71529

Database	Data ID
PubChem	22583463

M. W.

281.37386

CAS

Similarity

N/A

ID: 59148

N-phenyl-2,3-dihydro-1H-indole-5-sulfonamide

$$$$ Data

M. F.

C14H14N2O2S

Suppliers	Catalog Number
Matrix Scientific	064334

Database	Data ID
PubChem	43119852

M. W.

274.33816

CAS

Similarity

N/A

ID: 59149

2-methylpyrimidine-4,6-diol

$$$$ Data More

M. F.

C5H6N2O2

Suppliers	Catalog Number
Sigma Aldrich	D115258
Alfa Aesar	A10535
Matrix Scientific	064335

Database	Data ID
PubChem	222672

M. W.

126.11334

CAS

40497-30-1

Similarity

N/A

ID: 59150

2,6-dimethoxypyrimidin-4-amine

$$$$ Data More

M. F.

C6H9N3O2

Suppliers	Catalog Number
Sigma Aldrich	375357
Matrix Scientific	064336
Apollo Scientific	OR5783

Database	Data ID
PubChem	76789

M. W.

155.15456

CAS

3289-50-7

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