Chembase list of 866358 unique molecular structures

6,7-dinitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

$$$$ Data

M. F.

C9H6N2O8

Suppliers	Catalog Number
Enamine	EN300-101720

Database	Data ID
PubChem	71755545

M. W.

270.15254

CAS

Similarity

N/A

ID: 235602

ethyl 2-amino-5-(3-oxopiperazin-1-yl)benzoate

$$$$ Data

M. F.

C13H17N3O3

Suppliers	Catalog Number
Enamine	EN300-101721

Database	Data ID
PubChem	61307450

M. W.

263.29238

CAS

Similarity

N/A

ID: 235603

1,2-oxazole-3-carbohydrazide

$$$$ Data

M. F.

C4H5N3O2

Suppliers	Catalog Number
Enamine	EN300-101722
A&J Pharmtech	AJA-O30167

Database	Data ID
PubChem	54338553

M. W.

127.1014

CAS

Similarity

N/A

ID: 235604

4-N,4-N-dimethylpyrimidine-4,5-diamine

$$$$ Data

M. F.

C6H10N4

Suppliers	Catalog Number
Enamine	EN300-101723

Database	Data ID
PubChem	45080467

M. W.

138.1704

CAS

Similarity

N/A

ID: 235605

[1-(2-phenylethyl)pyrrolidin-2-yl]methanamine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Enamine	EN300-101724

Database	Data ID
PubChem	12829009

M. W.

204.3113

CAS

Similarity

N/A

ID: 235606

4-ethyl-4-methylcyclohexan-1-amine

$$$$ Data

M. F.

C9H19N

Suppliers	Catalog Number
Enamine	EN300-101725

Database	Data ID
PubChem	68621324

M. W.

141.25386

CAS

Similarity

N/A

ID: 235607

[1-(aminomethyl)cyclohexyl]methanol

$$$$ Data

M. F.

C8H17NO

Suppliers	Catalog Number
Enamine	EN300-101726

Database	Data ID
PubChem	22379486

M. W.

143.22668

CAS

Similarity

N/A

ID: 235608

1-cyclopropyl-2-(methylamino)ethan-1-ol

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
Enamine	EN300-101727

Database	Data ID
PubChem	60150248

M. W.

115.17352

CAS

Similarity

N/A

ID: 235609

1-[(4-methylphenyl)sulfanyl]cyclopentane-1-carboxylic acid

$$$$ Data

M. F.

C13H16O2S

Suppliers	Catalog Number
Enamine	EN300-101729

Database	Data ID
PubChem	61344748

M. W.

236.32994

CAS

Similarity

N/A

ID: 235610

(2Z)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoi...

$$$$ Data

M. F.

C17H14N4O3

Suppliers	Catalog Number
Enamine	EN300-10173

Database	Data ID
PubChem	2512419

M. W.

322.31806

CAS

Similarity

N/A

ID: 235611

4-(4-fluorophenyl)-1,7λ⁶-dithia-4-azaspiro[4.4]nonane-3,7,7-trione

$$$$ Data

M. F.

C12H12FNO3S2

Suppliers	Catalog Number
Enamine	EN300-101730

Database	Data ID
PubChem	18593805

M. W.

301.3569832

CAS

Similarity

N/A

ID: 235612

4-(furan-2-ylmethyl)-1,7λ⁶-dithia-4-azaspiro[4.4]nonane-3,7,7-trione

$$$$ Data

M. F.

C11H13NO4S2

Suppliers	Catalog Number
Enamine	EN300-101732

Database	Data ID
PubChem	22694165

M. W.

287.35522

CAS

Similarity

N/A

ID: 235613

4-[2-(morpholin-4-yl)ethyl]-1,7λ⁶-dithia-4-azaspiro[4.4]nonane-3,7,7...

$$$$ Data

M. F.

C12H20N2O4S2

Suppliers	Catalog Number
Enamine	EN300-101733

Database	Data ID
PubChem	71755546

M. W.

320.4282

CAS

Similarity

N/A

ID: 235614

4-(4-methoxyphenyl)-1,7λ⁶-dithia-4-azaspiro[4.4]nonane-3,7,7-trione

$$$$ Data

M. F.

C13H15NO4S2

Suppliers	Catalog Number
Enamine	EN300-101734

Database	Data ID
PubChem	16805435

M. W.

313.3925

CAS

Similarity

N/A

ID: 235615

4-(2-phenylethyl)-1,7λ⁶-dithia-4-azaspiro[4.4]nonane-3,7,7-trione

$$$$ Data

M. F.

C14H17NO3S2

Suppliers	Catalog Number
Enamine	EN300-101735

Database	Data ID
PubChem	22694168

M. W.

311.41968

CAS

Similarity

N/A

ID: 235616

3-hydroxy-1λ⁶-thiane-1,1-dione

$$$$ Data

M. F.

C5H10O3S

Suppliers	Catalog Number
Enamine	EN300-101736

Database	Data ID
PubChem	13567415

M. W.

150.1961

CAS

Similarity

N/A

ID: 235617

4-(7-chloro-1,3-benzothiazol-2-yl)aniline

$$$$ Data

M. F.

C13H9ClN2S

Suppliers	Catalog Number
Enamine	EN300-101737

Database	Data ID
PubChem	43306325

M. W.

260.74196

CAS

Similarity

N/A

ID: 235618

N-cyclopropyl-6,7-dimethyl-3,4-dihydro-2H-1-benzopyran-4-amine

$$$$ Data

M. F.

C14H19NO

Suppliers	Catalog Number
Enamine	EN300-101738

Database	Data ID
PubChem	43512155

M. W.

217.30676

CAS

Similarity

N/A

ID: 235619

2-(4-methoxypiperidin-1-yl)ethan-1-amine

$$$$ Data

M. F.

C8H18N2O

Suppliers	Catalog Number
Enamine	EN300-101739
A&J Pharmtech	AJA-O16799

Database	Data ID
PubChem	4712035

M. W.

158.24132

CAS

911300-69-1

Similarity

N/A

ID: 235620

4-ethyl-5-methylthiophene-2-carboxylic acid

$$$$ Data

M. F.

C8H10O2S

Suppliers	Catalog Number
Enamine	EN300-10174

Database	Data ID
PubChem	2512481

M. W.

170.2288

CAS

Similarity

N/A

ID: 235621

N-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine hydrochloride

$$$$ Data

M. F.

C14H19ClFN

Suppliers	Catalog Number
Enamine	EN300-101740

Database	Data ID
PubChem	71755547

M. W.

255.7587632

CAS

Similarity

N/A

ID: 235622

1H,3H,3aH,4H,9H,9aH-2λ⁶,4,9-[1λ⁶]thieno[3,4-b]quinoxalin...

$$$$ Data

M. F.

C10H12N2O2S

Suppliers	Catalog Number
Enamine	EN300-101746

Database	Data ID
PubChem	3044067

M. W.

224.27948

CAS

Similarity

N/A

ID: 235623

2-chloro-N-{1-phenyl-3-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}acetamide

$$$$ Data

M. F.

C20H20ClN3O

Suppliers	Catalog Number
Enamine	EN300-10175

Database	Data ID
PubChem	2512513

M. W.

353.8453

CAS

Similarity

N/A

ID: 235624

3,5-dichloro-2-(difluoromethoxy)benzoic acid

$$$$ Data

M. F.

C8H4Cl2F2O3

Suppliers	Catalog Number
Enamine	EN300-10176

Database	Data ID
PubChem	2512465

M. W.

257.0183664

CAS

Similarity

N/A

ID: 235625

4-(4-chlorophenyl)-1,7λ⁶-dithia-4-azaspiro[4.4]nonane-3,7,7-trione

$$$$ Data

M. F.

C12H12ClNO3S2

Suppliers	Catalog Number
Enamine	EN300-101763

Database	Data ID
PubChem	22694166

M. W.

317.81158

CAS

Similarity

N/A

ID: 235626

4-phenyl-1,7λ⁶-dithia-4-azaspiro[4.4]nonane-3,7,7-trione

$$$$ Data

M. F.

C12H13NO3S2

Suppliers	Catalog Number
Enamine	EN300-101764

Database	Data ID
PubChem	16805436

M. W.

283.36652

CAS

Similarity

N/A

ID: 235627

4-benzyl-1,7λ⁶-dithia-4-azaspiro[4.4]nonane-3,7,7-trione

$$$$ Data

M. F.

C13H15NO3S2

Suppliers	Catalog Number
Enamine	EN300-101766

Database	Data ID
PubChem	22694167

M. W.

297.3931

CAS

Similarity

N/A

ID: 235628

4-phenyl-1λ⁶,7λ⁶-dithia-4-azaspiro[4.4]nonane-1,1,3,7,7-...

$$$$ Data

M. F.

C12H13NO5S2

Suppliers	Catalog Number
Enamine	EN300-101767

Database	Data ID
PubChem	22694170

M. W.

315.36532

CAS

Similarity

N/A

ID: 235629

3-hydroxy-4-[(2-hydroxypropyl)amino]-1λ⁶-thiolane-1,1-dione; oxalic ...

$$$$ Data

M. F.

C9H17NO8S

Suppliers	Catalog Number
Enamine	EN300-101774

Database	Data ID
PubChem	71755548

M. W.

299.29818

CAS

Similarity

N/A

ID: 235630

2-chloro-N-(1,1-dioxo-2,3-dihydro-1λ⁶-thiophen-3-yl)-N-(4-methoxyphe...

$$$$ Data

M. F.

C13H14ClNO4S

Suppliers	Catalog Number
Enamine	EN300-101777

Database	Data ID
PubChem	46398671

M. W.

315.77256

CAS

Similarity

N/A

ID: 235631

2-chloro-N-(1,1-dioxo-2,3-dihydro-1λ⁶-thiophen-3-yl)-N-(3-methylphen...

$$$$ Data

M. F.

C13H14ClNO3S

Suppliers	Catalog Number
Enamine	EN300-101778

Database	Data ID
PubChem	46398669

M. W.

299.77316

CAS

Similarity

N/A

ID: 235632

3-chloro-N-(1,1-dioxo-2,3-dihydro-1λ⁶-thiophen-3-yl)-N-phenylpropana...

$$$$ Data

M. F.

C13H14ClNO3S

Suppliers	Catalog Number
Enamine	EN300-101779

Database	Data ID
PubChem	16461950

M. W.

299.77316

CAS

Similarity

N/A

ID: 235633

4-carbamoyl-2-[4-chloro-3-(trifluoromethyl)benzenesulfonamido]butanoic acid

$$$$ Data

M. F.

C12H12ClF3N2O5S

Suppliers	Catalog Number
Enamine	EN300-10178

Database	Data ID
PubChem	3473258

M. W.

388.7472896

CAS

Similarity

N/A

ID: 235634

N-(1,1-dioxo-2,3-dihydro-1λ⁶-thiophen-3-yl)-2-[(naphthalen-2-yl)amin...

$$$$ Data

M. F.

C22H20N2O3S

Suppliers	Catalog Number
Enamine	EN300-101780

Database	Data ID
PubChem	71755549

M. W.

392.4708

CAS

Similarity

N/A

ID: 235635

N-(4-chlorophenyl)-1,1-dioxo-2,5-dihydro-1λ⁶-thiophene-3-sulfonamide

$$$$ Data

M. F.

C10H10ClNO4S2

Suppliers	Catalog Number
Enamine	EN300-101783

Database	Data ID
PubChem	7540570

M. W.

307.7737

CAS

Similarity

N/A

ID: 235636

2-[(1,1-dioxo-2,5-dihydro-1λ⁶-thiophen-3-yl)sulfanyl]-N-phenylacetam...

$$$$ Data

M. F.

C12H13NO3S2

Suppliers	Catalog Number
Enamine	EN300-101784

Database	Data ID
PubChem	71755550

M. W.

283.36652

CAS

Similarity

N/A

ID: 235637

3-(4-bromo-3-methylphenyl)propanoic acid

$$$$ Data

M. F.

C10H11BrO2

Suppliers	Catalog Number
Enamine	EN300-101790

Database	Data ID
PubChem	69201637

M. W.

243.09714

CAS

Similarity

N/A

ID: 235638

1-phenylpyrrolidine-2,4-dione

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Enamine	EN300-101791

Database	Data ID
PubChem	21954875

M. W.

175.18396

CAS

Similarity

N/A

ID: 235639

methyl 2-aminoheptanoate hydrochloride

$$$$ Data

M. F.

C8H18ClNO2

Suppliers	Catalog Number
Enamine	EN300-101792

Database	Data ID
PubChem	23074222

M. W.

195.68702

CAS

Similarity

N/A

ID: 235640

1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C11H14ClN3O

Suppliers	Catalog Number
Enamine	EN300-101793

Database	Data ID
PubChem	71755551

M. W.

239.70136

CAS

Similarity

N/A

ID: 235641

2-(pyridin-3-yl)-1,3-thiazole-5-carbaldehyde

$$$$ Data

M. F.

C9H6N2OS

Suppliers	Catalog Number
Enamine	EN300-101794

Database	Data ID
PubChem	11550137

M. W.

190.22174

CAS

Similarity

N/A

ID: 235642

2-ethyl-octahydroimidazolidino[1,5-a]piperazine-1,3-dione hydrochloride

$$$$ Data

M. F.

C8H14ClN3O2

Suppliers	Catalog Number
Enamine	EN300-101797

Database	Data ID
PubChem	71755552

M. W.

219.66866

CAS

Similarity

N/A

ID: 235643

5-chloro-1-benzothiophene-3-sulfonyl chloride

$$$$ Data

M. F.

C8H4Cl2O2S2

Suppliers	Catalog Number
Enamine	EN300-101798

Database	Data ID
PubChem	71755554

M. W.

267.15216

CAS

Similarity

N/A

ID: 235644

azetidin-3-ylmethanamine dihydrochloride

$$$$ Data

M. F.

C4H12Cl2N2

Suppliers	Catalog Number
Enamine	EN300-101799
Bide Pharmatech	BD163708
A&J Pharmtech	AJA-O6513

Database	Data ID
PubChem	22121283

M. W.

159.05748

CAS

221095-80-3

Similarity

N/A

ID: 235645

4-chloro-3-methanesulfonylbenzoic acid

$$$$ Data

M. F.

C8H7ClO4S

Suppliers	Catalog Number
Enamine	EN300-10180

Database	Data ID
PubChem	182670

M. W.

234.65678

CAS

51522-07-7

Similarity

N/A

ID: 235646

5-(chlorosulfonyl)-2,3-difluorobenzoic acid

$$$$ Data

M. F.

C7H3ClF2O4S

Suppliers	Catalog Number
Enamine	EN300-101800

Database	Data ID
PubChem	50998474

M. W.

256.6111264

CAS

Similarity

N/A

ID: 235647

1-(2-chloroethyl)-1H-pyrazole hydrochloride

$$$$ Data

M. F.

C5H8Cl2N2

Suppliers	Catalog Number
Enamine	EN300-101804

Database	Data ID
PubChem	71755555

M. W.

167.03642

CAS

Similarity

N/A

ID: 235648

2-(pyrrolidin-2-yl)-1-(thiophen-2-yl)ethan-1-ol

$$$$ Data

M. F.

C10H15NOS

Suppliers	Catalog Number
Enamine	EN300-101805

Database	Data ID
PubChem	71755556

M. W.

197.2972

CAS

Similarity

N/A

ID: 235649

2-(2-aminoethoxy)-1,3,5-trichlorobenzene

$$$$ Data

M. F.

C8H8Cl3NO

Suppliers	Catalog Number
Enamine	EN300-101806

Database	Data ID
PubChem	7139321

M. W.

240.51422

CAS

Similarity

N/A

ID: 235650

[1-(3-methylbutyl)piperidin-4-yl]methanamine

$$$$ Data

M. F.

C11H24N2

Suppliers	Catalog Number
Enamine	EN300-101807

Database	Data ID
PubChem	24274890

M. W.

184.32166

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