Chembase list of 866358 unique molecular structures

5-oxo-1-(pyridin-4-yl)pyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C10H10N2O3

Suppliers	Catalog Number
Apollo Scientific	OR6334

Database	Data ID
PubChem	4777967

M. W.

206.198

CAS

Similarity

N/A

ID: 90952

3,4-dibromo-7-chloroquinoline

$$$$ Data

M. F.

C9H4Br2ClN

Suppliers	Catalog Number
Apollo Scientific	OR6335

Database	Data ID
PubChem	2735941

M. W.

321.39576

CAS

Similarity

N/A

ID: 90953

5-oxo-1-(pyridin-3-yl)pyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C10H10N2O3

Suppliers	Catalog Number
Apollo Scientific	OR6336
Enamine	EN300-69048

Database	Data ID
PubChem	4777968

M. W.

206.198

CAS

914637-52-8

Similarity

N/A

ID: 90954

5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C8H8N2O3S

Suppliers	Catalog Number
Apollo Scientific	OR6337
Enamine	EN300-98572
Bide Pharmatech	BD160219

Database	Data ID
PubChem	4777977

M. W.

212.22572

CAS

914637-54-0

Similarity

N/A

ID: 90955

1-(1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C8H8N2O4

Suppliers	Catalog Number
Apollo Scientific	OR6339

Database	Data ID
PubChem	44119657

M. W.

196.16012

CAS

Similarity

N/A

ID: 90956

(3R,4R)-1-[(tert-butoxy)carbonyl]-4-(propan-2-yl)pyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C13H23NO4

Suppliers	Catalog Number
Apollo Scientific	OR6342

Database	Data ID
PubChem	25631063

M. W.

257.32602

CAS

Similarity

N/A

ID: 90957

(3S,4S)-4-benzyl-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C17H23NO4

Suppliers	Catalog Number
Apollo Scientific	OR6343

Database	Data ID
PubChem	28875777

M. W.

305.36882

CAS

Similarity

N/A

ID: 90958

(3R,4R)-4-benzyl-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C17H23NO4

Suppliers	Catalog Number
Apollo Scientific	OR6344

Database	Data ID
PubChem	28875773

M. W.

305.36882

CAS

Similarity

N/A

ID: 90959

4-oxocyclohexane-1-carboxylic acid

$$$$ Data More

M. F.

C7H10O3

Suppliers	Catalog Number
Alfa Aesar	H27294
Apollo Scientific	OR6345
Enamine	EN300-88624

Database	Data ID
PubChem	192730

M. W.

142.1525

CAS

874-61-3

Similarity

N/A

ID: 90960

pyrido[2,3-b]pyrazine-7-carboxylic acid

$$$$ Data

M. F.

C8H5N3O2

Suppliers	Catalog Number
Apollo Scientific	OR6350

Database	Data ID
PubChem	4739097

M. W.

175.1442

CAS

Similarity

N/A

ID: 90961

pyrido[2,3-b]pyrazine-2-carboxylic acid

$$$$ Data

M. F.

C8H5N3O2

Suppliers	Catalog Number
Apollo Scientific	OR6353

Database	Data ID
PubChem	26967325

M. W.

175.1442

CAS

914637-60-8

Similarity

N/A

ID: 90962

2-methylindolizine-6-carboxylic acid

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Apollo Scientific	OR6354

Database	Data ID
PubChem	21998718

M. W.

175.18396

CAS

256935-78-1

Similarity

N/A

ID: 90963

imidazo[1,2-b]pyridazine-2-carboxylic acid

$$$$ Data

M. F.

C7H5N3O2

Suppliers	Catalog Number
Apollo Scientific	OR6356

Database	Data ID
PubChem	10583132

M. W.

163.1335

CAS

160911-42-2

Similarity

N/A

ID: 90964

imidazo[1,2-b][1,2]oxazole-2-carboxylic acid

$$$$ Data

M. F.

C6H4N2O3

Suppliers	Catalog Number
Apollo Scientific	OR6357

Database	Data ID
PubChem	26967331

M. W.

152.10756

CAS

Similarity

N/A

ID: 90965

2,3-dichlorophenol

$$$$ Data More

M. F.

C6H4Cl2O

Suppliers	Catalog Number
Sigma Aldrich	D69807 36120
MP Biomedicals	05201982
Alfa Aesar	B22943

Database	Data ID
PubChem	11334

M. W.

163.00136

CAS

576-24-9

Similarity

N/A

ID: 90966

4-(4-bromo-1-methyl-1H-pyrazol-3-yl)aniline

$$$$ Data

M. F.

C10H10BrN3

Suppliers	Catalog Number
Apollo Scientific	OR6359

Database	Data ID
PubChem	2735392

M. W.

252.1105

CAS

Similarity

N/A

ID: 90967

imidazo[1,2-c]pyrimidine-2-carboxylic acid

$$$$ Data

M. F.

C7H5N3O2

Suppliers	Catalog Number
Apollo Scientific	OR6360

Database	Data ID
PubChem	26967334

M. W.

163.1335

CAS

914637-64-2

Similarity

N/A

ID: 90968

5-methylimidazo[1,2-a]pyrazine-2-carboxylic acid

$$$$ Data

M. F.

C8H7N3O2

Suppliers	Catalog Number
Apollo Scientific	OR6361

Database	Data ID
PubChem	10607389

M. W.

177.16008

CAS

Similarity

N/A

ID: 90969

5H,6H,7H,8H,9H-imidazo[1,2-a]azepine-3-carboxylic acid

$$$$ Data

M. F.

C9H12N2O2

Suppliers	Catalog Number
Apollo Scientific	OR6362

Database	Data ID
PubChem	26967338

M. W.

180.20378

CAS

Similarity

N/A

ID: 90970

4-methylpent-2-enoic acid

$$$$ Data

M. F.

C6H10O2

Suppliers	Catalog Number
Alfa Aesar	B22639
Apollo Scientific	OR6364

Database	Data ID
PubChem	642039

M. W.

114.1424

CAS

10321-71-8

Similarity

N/A

ID: 90971

5H,6H,7H-pyrrolo[1,2-a]imidazole-3-carboxylic acid

$$$$ Data

M. F.

C7H8N2O2

Suppliers	Catalog Number
Apollo Scientific	OR6365

Database	Data ID
PubChem	26967340

M. W.

152.15062

CAS

914637-68-6

Similarity

N/A

ID: 90972

tetrachloropyridine-4-carbonyl chloride

$$$$ Data

M. F.

C6Cl5NO

Suppliers	Catalog Number
Apollo Scientific	OR6369

Database	Data ID
PubChem	19809470

M. W.

279.3353

CAS

Similarity

N/A

ID: 90973

2,5-dimethylthiophene-3-carbonyl chloride

$$$$ Data

M. F.

C7H7ClOS

Suppliers	Catalog Number
Apollo Scientific	OR6371

Database	Data ID
PubChem	21510484

M. W.

174.64788

CAS

Similarity

N/A

ID: 90974

4-methoxythiophene-3-carbonyl chloride

$$$$ Data

M. F.

C6H5ClO2S

Suppliers	Catalog Number
Apollo Scientific	OR6372

Database	Data ID
PubChem	26967341

M. W.

176.6207

CAS

Similarity

N/A

ID: 90975

4-phenoxyfuran-2-carbonyl chloride

$$$$ Data

M. F.

C11H7ClO3

Suppliers	Catalog Number
Apollo Scientific	OR6373

Database	Data ID
PubChem	26967342

M. W.

222.62448

CAS

Similarity

N/A

ID: 90976

1,3-thiazole-4-carbonyl chloride

$$$$ Data

M. F.

C4H2ClNOS

Suppliers	Catalog Number
Apollo Scientific	OR6374

Database	Data ID
PubChem	15572100

M. W.

147.58278

CAS

3745-79-7

Similarity

N/A

ID: 90977

2-(furan-2-yl)-1,3-thiazole-4-carbonyl chloride

$$$$ Data

M. F.

C8H4ClNO2S

Suppliers	Catalog Number
Apollo Scientific	OR6376

Database	Data ID
PubChem	26967344

M. W.

213.64086

CAS

Similarity

N/A

ID: 90978

5-tert-butyl-1,3-oxazole-4-carbonyl chloride

$$$$ Data

M. F.

C8H10ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR6377

Database	Data ID
PubChem	26967346

M. W.

187.6235

CAS

Similarity

N/A

ID: 90979

5-methyl-1,3-oxazole-4-carbonyl chloride

$$$$ Data

M. F.

C5H4ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR6378

Database	Data ID
PubChem	11194412

M. W.

145.54376

CAS

Similarity

N/A

ID: 90980

5-(furan-2-yl)-1,3-oxazole-4-carbonyl chloride

$$$$ Data

M. F.

C8H4ClNO3

Suppliers	Catalog Number
Apollo Scientific	OR6379

Database	Data ID
PubChem	26967349

M. W.

197.57526

CAS

Similarity

N/A

ID: 90981

5-(thiophen-2-yl)-1,3-oxazole-4-carbonyl chloride

$$$$ Data

M. F.

C8H4ClNO2S

Suppliers	Catalog Number
Apollo Scientific	OR6380

Database	Data ID
PubChem	26967350

M. W.

213.64086

CAS

Similarity

N/A

ID: 90982

5-methyl-1,2,3-oxadiazole-4-carbonyl chloride

$$$$ Data

M. F.

C4H3ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR6381

Database	Data ID
PubChem	26967351

M. W.

146.53182

CAS

Similarity

N/A

ID: 90983

4-oxocyclohexane-1-carbonyl chloride

$$$$ Data

M. F.

C7H9ClO2

Suppliers	Catalog Number
Apollo Scientific	OR6382

Database	Data ID
PubChem	26967353

M. W.

160.59816

CAS

Similarity

N/A

ID: 90984

3-methylidenecyclobutane-1-carbonyl chloride

$$$$ Data

M. F.

C6H7ClO

Suppliers	Catalog Number
Apollo Scientific	OR6383

Database	Data ID
PubChem	13813822

M. W.

130.57218

CAS

Similarity

N/A

ID: 90985

2-oxo-2H-pyran-5-carbonyl chloride

$$$$ Data

M. F.

C6H3ClO3

Suppliers	Catalog Number
Apollo Scientific	OR6384

Database	Data ID
PubChem	13475225

M. W.

158.53922

CAS

Similarity

N/A

ID: 90986

5H-imidazo[1,2-b]pyrazole-2-carbonyl chloride

$$$$ Data

M. F.

C6H4ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR6386

Database	Data ID
PubChem	26967360

M. W.

169.56846

CAS

Similarity

N/A

ID: 90987

2-methylindolizine-6-carbonyl chloride

$$$$ Data

M. F.

C10H8ClNO

Suppliers	Catalog Number
Apollo Scientific	OR6388

Database	Data ID
PubChem	26967362

M. W.

193.62962

CAS

Similarity

N/A

ID: 90988

imidazo[1,2-b]pyridazine-2-carbonyl chloride

$$$$ Data

M. F.

C7H4ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR6389

Database	Data ID
PubChem	26967364

M. W.

181.57916

CAS

Similarity

N/A

ID: 90989

imidazo[1,2-b][1,2]oxazole-2-carbonyl chloride

$$$$ Data

M. F.

C6H3ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR6390

Database	Data ID
PubChem	26967367

M. W.

170.55322

CAS

Similarity

N/A

ID: 90990

imidazo[1,2-c]pyrimidine-2-carbonyl chloride

$$$$ Data

M. F.

C7H4ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR6391

Database	Data ID
PubChem	26967370

M. W.

181.57916

CAS

Similarity

N/A

ID: 90991

5H,6H,7H,8H,9H-imidazo[1,2-a]azepine-3-carbonyl chloride

$$$$ Data

M. F.

C9H11ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR6392

Database	Data ID
PubChem	26967371

M. W.

198.64944

CAS

Similarity

N/A

ID: 90992

5H,6H,7H-pyrrolo[1,2-a]imidazole-3-carbonyl chloride

$$$$ Data

M. F.

C7H7ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR6393

Database	Data ID
PubChem	26967373

M. W.

170.59628

CAS

Similarity

N/A

ID: 90993

tert-butyl 3-bromobenzoate

$$$$ Data

M. F.

C11H13BrO2

Suppliers	Catalog Number
Apollo Scientific	OR6394
Bide Pharmatech	BD153111
A&J Pharmtech	AJA-O31504

Database	Data ID
PubChem	334079

M. W.

257.12372

CAS

69038-74-0

Similarity

N/A

ID: 90994

methyl 5-bromo-2-hydroxypyridine-3-carboxylate

$$$$ Data

M. F.

C7H6BrNO3

Suppliers	Catalog Number
Apollo Scientific	OR6397
A&J Pharmtech	AJA-O23825

Database	Data ID
PubChem	2763337

M. W.

232.03144

CAS

120034-05-1

Similarity

N/A

ID: 90995

tert-butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate

$$$$ Data

M. F.

C12H22N2O4

Suppliers	Catalog Number
Apollo Scientific	OR6400
Bide Pharmatech	BD0941
A&J Pharmtech	AJA-O15694

Database	Data ID
PubChem	2756816

M. W.

258.31408

CAS

183742-33-8

Similarity

N/A

ID: 90996

ethyl 3-methyl-1,2-thiazole-4-carboxylate

$$$$ Data

M. F.

C7H9NO2S

Suppliers	Catalog Number
Apollo Scientific	OR6401

Database	Data ID
PubChem	12371906

M. W.

171.21686

CAS

Similarity

N/A

ID: 90997

methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate

$$$$ Data

M. F.

C7H5BrO4

Suppliers	Catalog Number
Apollo Scientific	OR6402

Database	Data ID
PubChem	680940

M. W.

233.0162

CAS

Similarity

N/A

ID: 90998

2-(4-bromophenyl)pyrimidine

$$$$ Data

M. F.

C10H7BrN2

Suppliers	Catalog Number
Apollo Scientific	OR6403

Database	Data ID
PubChem	22287544

M. W.

235.07998

CAS

Similarity

N/A

ID: 90999

2-(3-bromophenyl)pyrimidine

$$$$ Data

M. F.

C10H7BrN2

Suppliers	Catalog Number
Apollo Scientific	OR6404
Bide Pharmatech	BD160319

Database	Data ID
PubChem	26967381

M. W.

235.07998

CAS

885468-36-0

Similarity

N/A

ID: 91000

1,4-dibromo-2-methylbenzene

$$$$ Data More

M. F.

C7H6Br2

Suppliers	Catalog Number
Sigma Aldrich	250988
MP Biomedicals	05221670
Alfa Aesar	A19418

Database	Data ID
PubChem	12006

M. W.

249.93054

CAS

615-59-8

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