Chembase list of 866358 unique molecular structures

3,3-dimethyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl chloride

$$$$ Data

M. F.

C11H12ClNO3S

Suppliers	Catalog Number
Enamine	EN300-119320

Database	Data ID
PubChem	71695540

M. W.

273.73588

CAS

Similarity

N/A

ID: 243902

3-benzylimidazolidin-4-one hydrochloride

$$$$ Data

M. F.

C10H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-119321

Database	Data ID
PubChem	14175563

M. W.

212.67602

CAS

Similarity

N/A

ID: 243903

(1S)-1-(3-nitrophenyl)propan-1-ol

$$$$ Data

M. F.

C9H11NO3

Suppliers	Catalog Number
Enamine	EN300-119323

Database	Data ID
PubChem	10773741

M. W.

181.18854

CAS

Similarity

N/A

ID: 243904

4-bromo-6-chloro-2,3-dihydro-1H-inden-1-one

$$$$ Data

M. F.

C9H6BrClO

Suppliers	Catalog Number
Enamine	EN300-119328

Database	Data ID
PubChem	71757374

M. W.

245.50034

CAS

Similarity

N/A

ID: 243905

4-(4-ethoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C17H17N3OS

Suppliers	Catalog Number
Enamine	EN300-11933

Database	Data ID
PubChem	2446567

M. W.

311.40138

CAS

Similarity

N/A

ID: 243906

3-[(2-methoxyphenyl)methoxy]-2-methylaniline

$$$$ Data

M. F.

C15H17NO2

Suppliers	Catalog Number
Enamine	EN300-119330

Database	Data ID
PubChem	61672743

M. W.

243.30098

CAS

Similarity

N/A

ID: 243907

6-bromo-4-chloro-2,3-dihydro-1H-inden-1-one

$$$$ Data

M. F.

C9H6BrClO

Suppliers	Catalog Number
Enamine	EN300-119331

Database	Data ID
PubChem	71757375

M. W.

245.50034

CAS

Similarity

N/A

ID: 243908

3-(3-chlorophenoxy)pyrrolidine

$$$$ Data

M. F.

C10H12ClNO

Suppliers	Catalog Number
Enamine	EN300-119334

Database	Data ID
PubChem	12999568

M. W.

197.66138

CAS

Similarity

N/A

ID: 243909

1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-amine

$$$$ Data

M. F.

C11H14N2O4S

Suppliers	Catalog Number
Enamine	EN300-119336

Database	Data ID
PubChem	63767552

M. W.

270.30486

CAS

Similarity

N/A

ID: 243910

5-(difluoromethyl)-1-methyl-1H-pyrazol-4-amine hydrochloride

$$$$ Data

M. F.

C5H8ClF2N3

Suppliers	Catalog Number
Enamine	EN300-119337

Database	Data ID
PubChem	71757376

M. W.

183.5869264

CAS

Similarity

N/A

ID: 243911

5-(morpholin-4-ylmethyl)pyridin-2-amine

$$$$ Data

M. F.

C10H15N3O

Suppliers	Catalog Number
Enamine	EN300-119338

Database	Data ID
PubChem	57867515

M. W.

193.2456

CAS

Similarity

N/A

ID: 243912

2-bromo-4-chloropyridin-3-amine

$$$$ Data

M. F.

C5H4BrClN2

Suppliers	Catalog Number
Enamine	EN300-119339

Database	Data ID
PubChem	22476286

M. W.

207.45566

CAS

Similarity

N/A

ID: 243913

4-(chloromethyl)-2-cyclopropyl-1,3-thiazole

$$$$ Data

M. F.

C7H8ClNS

Suppliers	Catalog Number
Enamine	EN300-119340

Database	Data ID
PubChem	18071423

M. W.

173.66312

CAS

Similarity

N/A

ID: 243914

3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione

$$$$ Data

M. F.

C12H13NO2

Suppliers	Catalog Number
Enamine	EN300-119341

Database	Data ID
PubChem	43155395

M. W.

203.23712

CAS

Similarity

N/A

ID: 243915

5-(bromomethyl)-2-methoxybenzonitrile

$$$$ Data

M. F.

C9H8BrNO

Suppliers	Catalog Number
Enamine	EN300-119343

Database	Data ID
PubChem	22273674

M. W.

226.06992

CAS

Similarity

N/A

ID: 243916

2,5-dichloro-4-hydroxybenzaldehyde

$$$$ Data

M. F.

C7H4Cl2O2

Suppliers	Catalog Number
Enamine	EN300-119344

Database	Data ID
PubChem	528381

M. W.

191.01146

CAS

Similarity

N/A

ID: 243917

4-(2,5-dichlorophenyl)piperazine-2,6-dione

$$$$ Data

M. F.

C10H8Cl2N2O2

Suppliers	Catalog Number
Enamine	EN300-119346

Database	Data ID
PubChem	63787851

M. W.

259.08872

CAS

Similarity

N/A

ID: 243918

2-chloro-4-cyclobutoxybenzoic acid

$$$$ Data

M. F.

C11H11ClO3

Suppliers	Catalog Number
Enamine	EN300-119348

Database	Data ID
PubChem	62946592

M. W.

226.65624

CAS

Similarity

N/A

ID: 243919

1-(6-methylpyrimidin-4-yl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C8H9N5

Suppliers	Catalog Number
Enamine	EN300-119349

Database	Data ID
PubChem	61964746

M. W.

175.19056

CAS

Similarity

N/A

ID: 243920

5-(butylsulfanyl)-1,3,4-thiadiazole-2-thiol

$$$$ Data

M. F.

C6H10N2S3

Suppliers	Catalog Number
Enamine	EN300-11935

Database	Data ID
PubChem	2818225

M. W.

206.352

CAS

56492-83-2

Similarity

N/A

ID: 243921

2-cyclopropyl-1-methyl-1H-1,3-benzodiazol-5-amine

$$$$ Data

M. F.

C11H13N3

Suppliers	Catalog Number
Enamine	EN300-119350

Database	Data ID
PubChem	15979484

M. W.

187.24102

CAS

Similarity

N/A

ID: 243922

2-tert-butyl-1-methyl-1H-1,3-benzodiazol-5-amine

$$$$ Data

M. F.

C12H17N3

Suppliers	Catalog Number
Enamine	EN300-119351

Database	Data ID
PubChem	62507026

M. W.

203.28348

CAS

Similarity

N/A

ID: 243923

(3-methanesulfonylpropyl)(methyl)amine

$$$$ Data

M. F.

C5H13NO2S

Suppliers	Catalog Number
Enamine	EN300-119352

Database	Data ID
PubChem	22277805

M. W.

151.22722

CAS

Similarity

N/A

ID: 243924

5,6,7,8-tetrahydroquinazolin-4-ol

$$$$ Data

M. F.

C8H10N2O

Suppliers	Catalog Number
Enamine	EN300-119353

Database	Data ID
PubChem	63746

M. W.

150.1778

CAS

Similarity

N/A

ID: 243925

4-azidooxane

$$$$ Data

M. F.

C5H9N3O

Suppliers	Catalog Number
Enamine	EN300-119355

Database	Data ID
PubChem	63935844

M. W.

127.14446

CAS

Similarity

N/A

ID: 243926

methyl 1,2,3,4-tetrahydroquinoline-4-carboxylate

$$$$ Data

M. F.

C11H13NO2

Suppliers	Catalog Number
Enamine	EN300-119357
Bide Pharmatech	BD157972

Database	Data ID
PubChem	10631570

M. W.

191.22642

CAS

68066-85-3

Similarity

N/A

ID: 243927

(1S)-1-(4-ethylphenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C10H16ClN

Suppliers	Catalog Number
Enamine	EN300-119358

Database	Data ID
PubChem	53484688

M. W.

185.69374

CAS

Similarity

N/A

ID: 243928

(1R)-1-(4-ethylphenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C10H16ClN

Suppliers	Catalog Number
Enamine	EN300-119359

Database	Data ID
PubChem	53484689

M. W.

185.69374

CAS

Similarity

N/A

ID: 243929

1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one

$$$$ Data

M. F.

C14H17N5OS

Suppliers	Catalog Number
Enamine	EN300-11936

Database	Data ID
PubChem	4961740

M. W.

303.38268

CAS

Similarity

N/A

ID: 243930

(1R)-1-(4-methanesulfonylphenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C9H14ClNO2S

Suppliers	Catalog Number
Enamine	EN300-119360

Database	Data ID
PubChem	71757377

M. W.

235.73096

CAS

Similarity

N/A

ID: 243931

2-amino-1-(4-methoxyphenyl)propan-1-ol hydrochloride

$$$$ Data

M. F.

C10H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-119361

Database	Data ID
PubChem	24190989

M. W.

217.69254

CAS

Similarity

N/A

ID: 243932

1-(3-aminophenyl)-N-(butan-2-yl)methanesulfonamide hydrochloride

$$$$ Data

M. F.

C11H19ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-119362

Database	Data ID
PubChem	71757378

M. W.

278.79876

CAS

Similarity

N/A

ID: 243933

sodium 3-ethoxy-3-oxoprop-1-en-1-olate

$$$$ Data

M. F.

C5H7NaO3

Suppliers	Catalog Number
Enamine	EN300-119364

Database	Data ID
PubChem	23663474

M. W.

138.09705

CAS

Similarity

N/A

ID: 243934

methyl 2-oxo-1,3-oxazolidine-5-carboxylate

$$$$ Data

M. F.

C5H7NO4

Suppliers	Catalog Number
Enamine	EN300-119365

Database	Data ID
PubChem	4292406

M. W.

145.11338

CAS

Similarity

N/A

ID: 243935

4-(methoxymethyl)piperidin-4-ol

$$$$ Data

M. F.

C7H15NO2

Suppliers	Catalog Number
Enamine	EN300-119366

Database	Data ID
PubChem	55300261

M. W.

145.1995

CAS

Similarity

N/A

ID: 243936

tert-butyl 3-hydroxy-3-(pyridin-4-ylmethyl)azetidine-1-carboxylate

$$$$ Data

M. F.

C14H20N2O3

Suppliers	Catalog Number
Enamine	EN300-119367

Database	Data ID
PubChem	65919828

M. W.

264.3202

CAS

Similarity

N/A

ID: 243937

2-({3-[(2-methoxyphenyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetic...

$$$$ Data

M. F.

C18H16N2O4S

Suppliers	Catalog Number
Enamine	EN300-11937

Database	Data ID
PubChem	2090932

M. W.

356.39564

CAS

Similarity

N/A

ID: 243938

3-chloro-4-hydroxy-N-methyl-N-(propan-2-yl)benzamide

$$$$ Data

M. F.

C11H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-119370

Database	Data ID
PubChem	28391187

M. W.

227.68736

CAS

Similarity

N/A

ID: 243939

2-cyclohexyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride

$$$$ Data

M. F.

C15H27ClN2O

Suppliers	Catalog Number
Enamine	EN300-119373

Database	Data ID
PubChem	71757379

M. W.

286.84068

CAS

Similarity

N/A

ID: 243940

4-(3-fluorophenyl)-4-oxobutanoic acid

$$$$ Data

M. F.

C10H9FO3

Suppliers	Catalog Number
Enamine	EN300-119378

Database	Data ID
PubChem	2759124

M. W.

196.1750632

CAS

Similarity

N/A

ID: 243941

2-[(5-nitro-1-phenyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid

$$$$ Data

M. F.

C15H11N3O4S

Suppliers	Catalog Number
Enamine	EN300-11938

Database	Data ID
PubChem	4961741

M. W.

329.33054

CAS

Similarity

N/A

ID: 243942

3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin...

$$$$ Data

M. F.

C15H14N4O2S

Suppliers	Catalog Number
Enamine	EN300-11939

Database	Data ID
PubChem	2090925

M. W.

314.36226

CAS

Similarity

N/A

ID: 243943

10,13-diazatricyclo[7.4.1.0⁵,¹⁴]tetradeca-5,7,9...

$$$$ Data

M. F.

C12H14N2O

Suppliers	Catalog Number
Enamine	EN300-119392

Database	Data ID
PubChem	71757380

M. W.

202.25236

CAS

Similarity

N/A

ID: 243944

3-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid

$$$$ Data

M. F.

C13H11NO3S2

Suppliers	Catalog Number
Enamine	EN300-11940

Database	Data ID
PubChem	2461595

M. W.

293.36134

CAS

Similarity

N/A

ID: 243945

3-ethyl-4-methylaniline

$$$$ Data

M. F.

C9H13N

Suppliers	Catalog Number
Enamine	EN300-119406

Database	Data ID
PubChem	13879877

M. W.

135.20622

CAS

Similarity

N/A

ID: 243946

1-N-(pyrazin-2-yl)cyclohexane-1,2-diamine

$$$$ Data

M. F.

C10H16N4

Suppliers	Catalog Number
Enamine	EN300-119407

Database	Data ID
PubChem	61037517

M. W.

192.26084

CAS

Similarity

N/A

ID: 243947

1λ⁴,4-thiomorpholine-1,3-dione

$$$$ Data

M. F.

C4H7NO2S

Suppliers	Catalog Number
Enamine	EN300-119409

Database	Data ID
PubChem	21249162

M. W.

133.16888

CAS

Similarity

N/A

ID: 243948

5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-ol

$$$$ Data

M. F.

C8H9N3O

Suppliers	Catalog Number
Enamine	EN300-11941

Database	Data ID
PubChem	301725

M. W.

163.17656

CAS

26911-66-0

Similarity

N/A

ID: 243949

5-(1-chloroethyl)-3-phenyl-4,5-dihydro-1,2-oxazole

$$$$ Data

M. F.

C11H12ClNO

Suppliers	Catalog Number
Enamine	EN300-119410

Database	Data ID
PubChem	12384706

M. W.

209.67208

CAS

Similarity

N/A

ID: 243950

(dimethyl-1,3-thiazol-4-yl)methanamine

$$$$ Data

M. F.

C6H10N2S

Suppliers	Catalog Number
Enamine	EN300-119412

Database	Data ID
PubChem	69279054

M. W.

142.222

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