Chembase list of 866358 unique molecular structures

methyl 5-formyl-3-methylthieno[2,3-b]pyridine-2-carboxylate

$$$$ Data

M. F.

C11H9NO3S

Suppliers	Catalog Number
Enamine	EN300-56258

Database	Data ID
PubChem	47002218

M. W.

235.25906

CAS

Similarity

N/A

ID: 264502

2-(2-chloroethyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

$$$$ Data

M. F.

C8H8ClN3O

Suppliers	Catalog Number
Enamine	EN300-56259

Database	Data ID
PubChem	15105340

M. W.

197.62162

CAS

Similarity

N/A

ID: 264503

2-methyl-4-(2-methylpiperidine-1-carbonyl)aniline

$$$$ Data

M. F.

C14H20N2O

Suppliers	Catalog Number
Enamine	EN300-56260

Database	Data ID
PubChem	16772936

M. W.

232.3214

CAS

Similarity

N/A

ID: 264504

3-azabicyclo[3.1.0]hexane-2,4-dione

$$$$ Data

M. F.

C5H5NO2

Suppliers	Catalog Number
Enamine	EN300-56261

Database	Data ID
PubChem	3720053

M. W.

111.0987

CAS

Similarity

N/A

ID: 264505

1-(2-methoxyethyl)-1H-indazol-6-amine

$$$$ Data

M. F.

C10H13N3O

Suppliers	Catalog Number
Enamine	EN300-56263

Database	Data ID
PubChem	22693502

M. W.

191.22972

CAS

Similarity

N/A

ID: 264506

2-(3-methoxy-4-nitrophenoxy)acetic acid

$$$$ Data

M. F.

C9H9NO6

Suppliers	Catalog Number
Enamine	EN300-56264

Database	Data ID
PubChem	47002219

M. W.

227.17086

CAS

Similarity

N/A

ID: 264507

2-(1-ethyl-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C11H17Cl2N3

Suppliers	Catalog Number
Enamine	EN300-56267

Database	Data ID
PubChem	50988336

M. W.

262.17878

CAS

Similarity

N/A

ID: 264508

4-(4-aminophenoxy)benzonitrile

$$$$ Data

M. F.

C13H10N2O

Suppliers	Catalog Number
Enamine	EN300-56268
Bide Pharmatech	BD229435

Database	Data ID
PubChem	167619

M. W.

210.2313

CAS

17076-69-6

Similarity

N/A

ID: 264509

1-(2-methylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C14H14N2O2

Suppliers	Catalog Number
Enamine	EN300-56269

Database	Data ID
PubChem	43363492

M. W.

242.27316

CAS

Similarity

N/A

ID: 264510

1-(4-bromo-3-methylphenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C11H12BrNO

Suppliers	Catalog Number
Enamine	EN300-56270

Database	Data ID
PubChem	11218998

M. W.

254.12308

CAS

Similarity

N/A

ID: 264511

3-(5-methyl-1H-pyrazol-1-yl)aniline

$$$$ Data

M. F.

C10H11N3

Suppliers	Catalog Number
Enamine	EN300-56271

Database	Data ID
PubChem	43154912

M. W.

173.21444

CAS

Similarity

N/A

ID: 264512

3-amino-2-{[4-(trifluoromethyl)phenyl]methyl}propan-1-ol

$$$$ Data

M. F.

C11H14F3NO

Suppliers	Catalog Number
Enamine	EN300-56272

Database	Data ID
PubChem	43184303

M. W.

233.2301696

CAS

Similarity

N/A

ID: 264513

(5-bromothiophen-3-yl)methanol

$$$$ Data

M. F.

C5H5BrOS

Suppliers	Catalog Number
Enamine	EN300-56273

Database	Data ID
PubChem	19006171

M. W.

193.0616

CAS

Similarity

N/A

ID: 264514

3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile

$$$$ Data

M. F.

C10H9ClN2O

Suppliers	Catalog Number
Enamine	EN300-56274

Database	Data ID
PubChem	47002221

M. W.

208.64426

CAS

Similarity

N/A

ID: 264515

{[1-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl}(methyl)amine

$$$$ Data

M. F.

C11H12ClN3

Suppliers	Catalog Number
Enamine	EN300-56275

Database	Data ID
PubChem	45792399

M. W.

221.68608

CAS

Similarity

N/A

ID: 264516

ethyl(prop-2-en-1-yl)amine

$$$$ Data

M. F.

C5H11N

Suppliers	Catalog Number
Enamine	EN300-56276

Database	Data ID
PubChem	72885

M. W.

85.14754

CAS

Similarity

N/A

ID: 264517

1-(4-bromobutoxy)-2-(trifluoromethyl)benzene

$$$$ Data

M. F.

C11H12BrF3O

Suppliers	Catalog Number
Enamine	EN300-56277

Database	Data ID
PubChem	12923608

M. W.

297.1115896

CAS

Similarity

N/A

ID: 264518

(1S)-1-[4-(1H-1,3-benzodiazol-1-yl)phenyl]ethan-1-ol

$$$$ Data

M. F.

C15H14N2O

Suppliers	Catalog Number
Enamine	EN300-56279

Database	Data ID
PubChem	25324444

M. W.

238.28446

CAS

Similarity

N/A

ID: 264519

1-(3-chloropropyl)-3-methylurea

$$$$ Data

M. F.

C5H11ClN2O

Suppliers	Catalog Number
Enamine	EN300-56281

Database	Data ID
PubChem	14883415

M. W.

150.60664

CAS

Similarity

N/A

ID: 264520

1-(3,4-diethoxybenzenesulfonyl)piperazine

$$$$ Data

M. F.

C14H22N2O4S

Suppliers	Catalog Number
Enamine	EN300-56283

Database	Data ID
PubChem	9207811

M. W.

314.40048

CAS

Similarity

N/A

ID: 264521

1-[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one

$$$$ Data

M. F.

C12H11FN2O

Suppliers	Catalog Number
Enamine	EN300-56296

Database	Data ID
PubChem	13426032

M. W.

218.2269432

CAS

Similarity

N/A

ID: 264522

4-amino-N-(butan-2-yl)-3-methylbenzamide

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
Enamine	EN300-56297

Database	Data ID
PubChem	16772286

M. W.

206.28412

CAS

Similarity

N/A

ID: 264523

1-(propan-2-yl)pyrrolidin-3-one

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
ChemBridge	4085392
Enamine	EN300-56299

Database	Data ID
PubChem	21481278

M. W.

127.18422

CAS

Similarity

N/A

ID: 264524

quinolin-8-ylmethanesulfonyl chloride hydrochloride

$$$$ Data

M. F.

C10H9Cl2NO2S

Suppliers	Catalog Number
Enamine	EN300-56300

Database	Data ID
PubChem	47002222

M. W.

278.15496

CAS

Similarity

N/A

ID: 264525

3-{[(2-ethylhexyl)oxy]methyl}aniline

$$$$ Data

M. F.

C15H25NO

Suppliers	Catalog Number
Enamine	EN300-56304

Database	Data ID
PubChem	43127151

M. W.

235.3651

CAS

Similarity

N/A

ID: 264526

3-{[(4-methylpentyl)oxy]methyl}aniline

$$$$ Data

M. F.

C13H21NO

Suppliers	Catalog Number
Enamine	EN300-56305

Database	Data ID
PubChem	28995423

M. W.

207.31194

CAS

Similarity

N/A

ID: 264527

1-(3,4-dichlorophenyl)cyclopropan-1-amine

$$$$ Data

M. F.

C9H9Cl2N

Suppliers	Catalog Number
Enamine	EN300-56307

Database	Data ID
PubChem	43164285

M. W.

202.08046

CAS

Similarity

N/A

ID: 264528

2-N,2-N-dimethylquinoline-2,6-diamine

$$$$ Data

M. F.

C11H13N3

Suppliers	Catalog Number
Enamine	EN300-56308

Database	Data ID
PubChem	43450801

M. W.

187.24102

CAS

Similarity

N/A

ID: 264529

3-propyl-6-(pyridin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

$$$$ Data

M. F.

C15H13N3O3

Suppliers	Catalog Number
Enamine	EN300-56309

Database	Data ID
PubChem	16787021

M. W.

283.28202

CAS

Similarity

N/A

ID: 264530

(4-bromophenyl)(phenyl)methanamine hydrochloride

$$$$ Data

M. F.

C13H13BrClN

Suppliers	Catalog Number
Enamine	EN300-56310

Database	Data ID
PubChem	21528791

M. W.

298.60602

CAS

Similarity

N/A

ID: 264531

2-methoxy-1-(3-nitrophenyl)ethan-1-one

$$$$ Data

M. F.

C9H9NO4

Suppliers	Catalog Number
Enamine	EN300-56312

Database	Data ID
PubChem	43799535

M. W.

195.17206

CAS

Similarity

N/A

ID: 264532

(4-aminobutyl)(methyl)(propan-2-yl)amine

$$$$ Data

M. F.

C8H20N2

Suppliers	Catalog Number
Enamine	EN300-56313

Database	Data ID
PubChem	16748474

M. W.

144.2578

CAS

Similarity

N/A

ID: 264533

(Z)-N-[1-(trimethyl-1H-pyrazol-4-yl)ethylidene]hydroxylamine

$$$$ Data

M. F.

C8H13N3O

Suppliers	Catalog Number
Enamine	EN300-56314

Database	Data ID
PubChem	47002223

M. W.

167.20832

CAS

Similarity

N/A

ID: 264534

2-bromo-4-fluoro-N,N-dimethylbenzamide

$$$$ Data

M. F.

C9H9BrFNO

Suppliers	Catalog Number
Enamine	EN300-56317

Database	Data ID
PubChem	24689405

M. W.

246.0762632

CAS

Similarity

N/A

ID: 264535

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

$$$$ Data

M. F.

C9H12Cl2N4

Suppliers	Catalog Number
Enamine	EN300-56320

Database	Data ID
PubChem	47002224

M. W.

247.12438

CAS

Similarity

N/A

ID: 264536

ethyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylate

$$$$ Data

M. F.

C12H12O3

Suppliers	Catalog Number
Enamine	EN300-56327

Database	Data ID
PubChem	10910629

M. W.

204.22188

CAS

Similarity

N/A

ID: 264537

ethyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate

$$$$ Data

M. F.

C13H14O3

Suppliers	Catalog Number
Enamine	EN300-56328

Database	Data ID
PubChem	251472

M. W.

218.24846

CAS

Similarity

N/A

ID: 264538

ethyl 5-methyl-2-oxocyclohexane-1-carboxylate

$$$$ Data

M. F.

C10H16O3

Suppliers	Catalog Number
Enamine	EN300-56331

Database	Data ID
PubChem	458119

M. W.

184.23224

CAS

Similarity

N/A

ID: 264539

ethyl 5-tert-butyl-2-oxocyclohexane-1-carboxylate

$$$$ Data

M. F.

C13H22O3

Suppliers	Catalog Number
Enamine	EN300-56334

Database	Data ID
PubChem	13184322

M. W.

226.31198

CAS

Similarity

N/A

ID: 264540

ethyl 2-oxo-5-phenylcyclohexane-1-carboxylate

$$$$ Data

M. F.

C15H18O3

Suppliers	Catalog Number
Enamine	EN300-56335

Database	Data ID
PubChem	23500357

M. W.

246.30162

CAS

Similarity

N/A

ID: 264541

3-hydrazinylbutanenitrile

$$$$ Data

M. F.

C4H9N3

Suppliers	Catalog Number
Enamine	EN300-56337

Database	Data ID
PubChem	13671079

M. W.

99.13436

CAS

Similarity

N/A

ID: 264542

5,6-diaminopyridine-3-sulfonamide

$$$$ Data

M. F.

C5H8N4O2S

Suppliers	Catalog Number
Enamine	EN300-56338

Database	Data ID
PubChem	24271760

M. W.

188.20762

CAS

Similarity

N/A

ID: 264543

1-(4-bromophenyl)-5-methyl-1H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C8H7BrN4

Suppliers	Catalog Number
Enamine	EN300-56340

Database	Data ID
PubChem	43617302

M. W.

239.07198

CAS

Similarity

N/A

ID: 264544

3-(2-nitrophenyl)propanoic acid

$$$$ Data

M. F.

C9H9NO4

Suppliers	Catalog Number
Enamine	EN300-56341

Database	Data ID
PubChem	74818

M. W.

195.17206

CAS

Similarity

N/A

ID: 264545

3-(5-amino-1,3,4-oxadiazol-2-yl)benzene-1-carbothioamide

$$$$ Data

M. F.

C9H8N4OS

Suppliers	Catalog Number
Enamine	EN300-56342

Database	Data ID
PubChem	47002225

M. W.

220.25102

CAS

Similarity

N/A

ID: 264546

1-(4-ethylphenyl)piperidin-4-one

$$$$ Data

M. F.

C13H17NO

Suppliers	Catalog Number
Enamine	EN300-56343

Database	Data ID
PubChem	21021943

M. W.

203.28018

CAS

Similarity

N/A

ID: 264547

2-(2-chloro-4-cyanophenoxy)acetic acid

$$$$ Data

M. F.

C9H6ClNO3

Suppliers	Catalog Number
Enamine	EN300-56344

Database	Data ID
PubChem	16775328

M. W.

211.60184

CAS

Similarity

N/A

ID: 264548

3-[(4-methoxyphenyl)amino]-1λ⁶-thiolane-1,1-dione

$$$$ Data

M. F.

C11H15NO3S

Suppliers	Catalog Number
Enamine	EN300-56345

Database	Data ID
PubChem	2856684

M. W.

241.3067

CAS

Similarity

N/A

ID: 264549

(Z)-[amino(thiophen-2-yl)methylidene]amino 4-chlorobutanoate

$$$$ Data

M. F.

C9H11ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-56346

Database	Data ID
PubChem	47002226

M. W.

246.71384

CAS

Similarity

N/A

ID: 264550

1-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C12H12N2O3

Suppliers	Catalog Number
Enamine	EN300-56349

Database	Data ID
PubChem	28974046

M. W.

232.23528

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