Chembase list of 866358 unique molecular structures

ethyl 4-(1H-1,2,3,4-tetrazol-1-yl)benzoate

$$$$ Data

M. F.

C10H10N4O2

Suppliers	Catalog Number
Matrix Scientific	037204

Database	Data ID
PubChem	826844

M. W.

218.212

CAS

Similarity

N/A

ID: 34452

3-(4-chlorobenzenesulfonyl)-5-methoxyaniline

$$$$ Data

M. F.

C13H12ClNO3S

Suppliers	Catalog Number
Matrix Scientific	037205

Database	Data ID
PubChem	4885560

M. W.

297.75728

CAS

Similarity

N/A

ID: 34453

3-(3-chloro-4-fluorophenoxy)-5-nitroaniline

$$$$ Data

M. F.

C12H8ClFN2O3

Suppliers	Catalog Number
Matrix Scientific	037206

Database	Data ID
PubChem	4913136

M. W.

282.6549232

CAS

Similarity

N/A

ID: 34454

3-nitro-5-phenylmethanesulfonylaniline

$$$$ Data

M. F.

C13H12N2O4S

Suppliers	Catalog Number
Matrix Scientific	037207

Database	Data ID
PubChem	25219480

M. W.

292.31038

CAS

Similarity

N/A

ID: 34455

3-(4-chlorophenoxy)-5-nitroaniline

$$$$ Data

M. F.

C12H9ClN2O3

Suppliers	Catalog Number
Matrix Scientific	037209

Database	Data ID
PubChem	843200

M. W.

264.66446

CAS

Similarity

N/A

ID: 34456

3-(4-fluorophenoxy)-5-nitroaniline

$$$$ Data

M. F.

C12H9FN2O3

Suppliers	Catalog Number
Matrix Scientific	037210
Apollo Scientific	PC8748

Database	Data ID
PubChem	667928

M. W.

248.2098632

CAS

Similarity

N/A

ID: 34457

4-[(furan-2-ylmethyl)sulfanyl]aniline

$$$$ Data

M. F.

C11H11NOS

Suppliers	Catalog Number
ChemBridge	4010397
Matrix Scientific	037211

Database	Data ID
PubChem	16765173

M. W.

205.27614

CAS

869943-49-7

Similarity

N/A

ID: 34458

4-(pyridin-2-ylmethoxy)aniline

$$$$ Data

M. F.

C12H12N2O

Suppliers	Catalog Number
ChemBridge	4012449
Matrix Scientific	037212

Database	Data ID
PubChem	10442773

M. W.

200.23648

CAS

102137-46-2

Similarity

N/A

ID: 34459

2-phenyl-1-benzofuran-5-amine

$$$$ Data

M. F.

C14H11NO

Suppliers	Catalog Number
ChemBridge	4013743
Matrix Scientific	037213

Database	Data ID
PubChem	16765172

M. W.

209.24324

CAS

77084-15-2

Similarity

N/A

ID: 34460

3-(2,6-dioxopiperidin-1-yl)benzoic acid

$$$$ Data

M. F.

C12H11NO4

Suppliers	Catalog Number
Matrix Scientific	037214

Database	Data ID
PubChem	15041538

M. W.

233.22004

CAS

Similarity

N/A

ID: 34461

3-(3,5-dioxomorpholin-4-yl)propanoic acid

$$$$ Data

M. F.

C7H9NO5

Suppliers	Catalog Number
Matrix Scientific	037215

Database	Data ID
PubChem	25219481

M. W.

187.15006

CAS

Similarity

N/A

ID: 34462

2-ethyl-3-methyl-1-benzofuran-7-amine hydrochloride

$$$$ Data

M. F.

C11H14ClNO

Suppliers	Catalog Number
Matrix Scientific	037216

Database	Data ID
PubChem	46736949

M. W.

211.68796

CAS

Similarity

N/A

ID: 34463

3-methoxy-5-nitroaniline

$$$$ Data

M. F.

C7H8N2O3

Suppliers	Catalog Number
ChemBridge	4009255
Matrix Scientific	037217

Database	Data ID
PubChem	2759598

M. W.

168.15002

CAS

586-10-7

Similarity

N/A

ID: 34464

6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid

$$$$ Data

M. F.

C10H8N2O3

Suppliers	Catalog Number
ChemBridge	4033799
Matrix Scientific	037218

Database	Data ID
PubChem	208416

M. W.

204.18212

CAS

32092-27-6

Similarity

N/A

ID: 34465

ethyl 5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate hydrochloride

$$$$ Data

M. F.

C9H9ClN2O3S

Suppliers	Catalog Number
Matrix Scientific	037219

Database	Data ID
PubChem	46736950

M. W.

260.69736

CAS

Similarity

N/A

ID: 34466

2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid

$$$$ Data

M. F.

C8H5ClN4O2

Suppliers	Catalog Number
Matrix Scientific	037220
InterBioScreen	BB_SC-5656

Database	Data ID
PubChem	1129937

M. W.

224.6039

CAS

Similarity

N/A

ID: 34467

4-(3,5-dinitrophenoxy)benzoic acid

$$$$ Data

M. F.

C13H8N2O7

Suppliers	Catalog Number
Matrix Scientific	037221

Database	Data ID
PubChem	14935014

M. W.

304.21182

CAS

Similarity

N/A

ID: 34468

2-(1H-1,2,4-triazol-1-yl)benzoic acid

$$$$ Data

M. F.

C9H7N3O2

Suppliers	Catalog Number
ChemBridge	4033379
Matrix Scientific	037222
Key Organics	AD-0730

Database	Data ID
PubChem	15712146

M. W.

189.17078

CAS

138479-54-6

Similarity

N/A

ID: 34469

3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline

$$$$ Data

M. F.

C11H10F7NO2

Suppliers	Catalog Number
Matrix Scientific	037223

Database	Data ID
PubChem	629404

M. W.

321.1914224

CAS

Similarity

N/A

ID: 34470

2-(5-amino-2H-1,2,3,4-tetrazol-2-yl)acetic acid

$$$$ Data

M. F.

C3H5N5O2

Suppliers	Catalog Number
Matrix Scientific	037224
Enamine	EN300-83555

Database	Data ID
PubChem	3902378

M. W.

143.1041

CAS

Similarity

N/A

ID: 34471

methyl 4-{[(propan-2-ylidene)amino]oxy}benzoate

$$$$ Data

M. F.

C11H13NO3

Suppliers	Catalog Number
Matrix Scientific	037225

Database	Data ID
PubChem	12244514

M. W.

207.22582

CAS

Similarity

N/A

ID: 34472

methyl 2-methyl-1-benzofuran-5-carboxylate

$$$$ Data

M. F.

C11H10O3

Suppliers	Catalog Number
Matrix Scientific	037226

Database	Data ID
PubChem	22387841

M. W.

190.1953

CAS

Similarity

N/A

ID: 34473

[2-(1H-1,2,4-triazol-1-yl)phenyl]methanamine hydrochloride

$$$$ Data

M. F.

C9H11ClN4

Suppliers	Catalog Number
Matrix Scientific	037227

Database	Data ID
PubChem	21069778

M. W.

210.66344

CAS

Similarity

N/A

ID: 34474

2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid

$$$$ Data

M. F.

C4H6N4O2

Suppliers	Catalog Number
ChemBridge	4030732
Matrix Scientific	037228

Database	Data ID
PubChem	5077792

M. W.

142.11604

CAS

21743-55-5

Similarity

N/A

ID: 34475

4-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]butanoic acid hydrochloride

$$$$ Data

M. F.

C10H18ClN5O3

Suppliers	Catalog Number
Matrix Scientific	037229

Database	Data ID
PubChem	46736951

M. W.

291.73462

CAS

Similarity

N/A

ID: 34476

2-[5-(azepan-1-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetic acid hydrochloride

$$$$ Data

M. F.

C10H18ClN5O2

Suppliers	Catalog Number
Matrix Scientific	037230

Database	Data ID
PubChem	46736952

M. W.

275.73522

CAS

Similarity

N/A

ID: 34477

2-{5-[(2,6-dimethylmorpholin-4-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}acetic acid h...

$$$$ Data

M. F.

C10H18ClN5O3

Suppliers	Catalog Number
Matrix Scientific	037231

Database	Data ID
PubChem	46736953

M. W.

291.73462

CAS

Similarity

N/A

ID: 34478

2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]phenol

$$$$ Data

M. F.

C14H9BrN2O2

Suppliers	Catalog Number
Matrix Scientific	037232

Database	Data ID
PubChem	13976892

M. W.

317.13746

CAS

Similarity

N/A

ID: 34479

2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol

$$$$ Data

M. F.

C14H10N2O2

Suppliers	Catalog Number
Matrix Scientific	037233

Database	Data ID
PubChem	5383601

M. W.

238.2414

CAS

18233-24-4

Similarity

N/A

ID: 34480

methyl 2-(trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

$$$$ Data

M. F.

C12H12F3NO3S

Suppliers	Catalog Number
Matrix Scientific	037234

Database	Data ID
PubChem	677109

M. W.

307.2887896

CAS

Similarity

N/A

ID: 34481

2-(6-hydroxypyrimidin-4-yl)acetic acid

$$$$ Data

M. F.

C6H6N2O3

Suppliers	Catalog Number
Matrix Scientific	037235

Database	Data ID
PubChem	25219489

M. W.

154.12344

CAS

Similarity

N/A

ID: 34482

5-[2-chloro-5-(trifluoromethyl)phenoxy]-2-nitrophenol

$$$$ Data

M. F.

C13H7ClF3NO4

Suppliers	Catalog Number
Matrix Scientific	037236
Apollo Scientific	PC8652

Database	Data ID
PubChem	619791

M. W.

333.6471896

CAS

Similarity

N/A

ID: 34483

2-[3-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]propanoic acid

$$$$ Data

M. F.

C10H10N4O3

Suppliers	Catalog Number
Matrix Scientific	037237
Enamine	EN300-83554

Database	Data ID
PubChem	16228176

M. W.

234.2114

CAS

Similarity

N/A

ID: 34484

2,6-dimethylmorpholine-4-sulfonyl chloride

$$$$ Data

M. F.

C6H12ClNO3S

Suppliers	Catalog Number
ChemBridge	4029130
Matrix Scientific	037238
Enamine	EN300-34891

Database	Data ID
PubChem	16228393

M. W.

213.68238

CAS

919026-20-3

Similarity

N/A

ID: 34485

3,5-dimethylpiperidine-1-sulfonyl chloride

$$$$ Data

M. F.

C7H14ClNO2S

Suppliers	Catalog Number
ChemBridge	4030620
Matrix Scientific	037239
Enamine	EN300-29825

Database	Data ID
PubChem	16228529

M. W.

211.70956

CAS

923249-49-4

Similarity

N/A

ID: 34486

2-(2-methyl-1H-1,3-benzodiazol-1-yl)acetohydrazide

$$$$ Data

M. F.

C10H12N4O

Suppliers	Catalog Number
Matrix Scientific	037240
Enamine	EN300-03831

Database	Data ID
PubChem	762766

M. W.

204.22848

CAS

Similarity

N/A

ID: 34487

2-(1H-1,2,3,4-tetrazol-1-yl)acetohydrazide

$$$$ Data

M. F.

C3H6N6O

Suppliers	Catalog Number
Matrix Scientific	037241

Database	Data ID
PubChem	11480497

M. W.

142.11934

CAS

Similarity

N/A

ID: 34488

1-hydroxycyclohexane-1-carboxylic acid

$$$$ Data More

M. F.

C7H12O3

Suppliers	Catalog Number
ChemBridge	4033358
MP Biomedicals	05224589
Matrix Scientific	037242

Database	Data ID
PubChem	219640

M. W.

144.16838

CAS

1123-28-0

Similarity

N/A

ID: 34489

4-chloro-1H-1,2,3-benzotriazol-1-ol

$$$$ Data

M. F.

C6H4ClN3O

Suppliers	Catalog Number
Matrix Scientific	037243

Database	Data ID
PubChem	16765163

M. W.

169.56846

CAS

Similarity

N/A

ID: 34490

N-(2-amino-2-methylpropyl)-3-chloroaniline

$$$$ Data

M. F.

C10H15ClN2

Suppliers	Catalog Number
ChemBridge	4023228
Matrix Scientific	037244

Database	Data ID
PubChem	16765177

M. W.

198.6925

CAS

854650-27-4

Similarity

N/A

ID: 34491

2-[(1-methylpiperidin-4-yl)oxy]aniline

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
ChemBridge	4010411
Matrix Scientific	037245

Database	Data ID
PubChem	16765165

M. W.

206.28412

CAS

869943-62-4

Similarity

N/A

ID: 34492

[4-(3-methylphenoxy)phenyl]methanamine

$$$$ Data

M. F.

C14H15NO

Suppliers	Catalog Number
Matrix Scientific	037246

Database	Data ID
PubChem	19627311

M. W.

213.275

CAS

864263-07-0

Similarity

N/A

ID: 34493

4-(2-chlorophenoxy)benzaldehyde

$$$$ Data

M. F.

C13H9ClO2

Suppliers	Catalog Number
Matrix Scientific	037247

Database	Data ID
PubChem	10489773

M. W.

232.66236

CAS

158771-11-0

Similarity

N/A

ID: 34494

2-methyl-2-(pyrrolidin-1-yl)propanoic acid hydrochloride

$$$$ Data

M. F.

C8H16ClNO2

Suppliers	Catalog Number
Matrix Scientific	037248

Database	Data ID
PubChem	46736954

M. W.

193.67114

CAS

Similarity

N/A

ID: 34495

2-(dimethylamino)-2-methylpropanoic acid

$$$$ Data

M. F.

C6H13NO2

Suppliers	Catalog Number
Matrix Scientific	037249

Database	Data ID
PubChem	151418

M. W.

131.17292

CAS

6458-06-6

Similarity

N/A

ID: 34496

1-(1-chloropropan-2-yl)pyrrolidine hydrochloride

$$$$ Data

M. F.

C7H15Cl2N

Suppliers	Catalog Number
Matrix Scientific	037250

Database	Data ID
PubChem	46736955

M. W.

184.1067

CAS

Similarity

N/A

ID: 34497

N-phenyl-2-{[(phenylcarbamoyl)methyl]amino}acetamide

$$$$ Data

M. F.

C16H17N3O2

Suppliers	Catalog Number
Matrix Scientific	037251

Database	Data ID
PubChem	223296

M. W.

283.32508

CAS

5408-28-6

Similarity

N/A

ID: 34498

N-methyl-2-(methylamino)propanamide

$$$$ Data

M. F.

C5H12N2O

Suppliers	Catalog Number
ChemBridge	4034384
Matrix Scientific	037252

Database	Data ID
PubChem	14953798

M. W.

116.16158

CAS

63095-84-1

Similarity

N/A

ID: 34499

ethyl 2-(3-methylpiperidin-1-yl)acetate

$$$$ Data

M. F.

C10H19NO2

Suppliers	Catalog Number
Matrix Scientific	037253

Database	Data ID
PubChem	22197786

M. W.

185.26336

CAS

Similarity

N/A

ID: 34500

ethyl 3-(1H-imidazol-1-yl)propanoate

$$$$ Data

M. F.

C8H12N2O2

Suppliers	Catalog Number
Matrix Scientific	037254

Database	Data ID
PubChem	11845203

M. W.

168.19308

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