Chembase list of 866358 unique molecular structures

5,5-dimethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H16N2O2

Suppliers	Catalog Number
Matrix Scientific	063530

Database	Data ID
PubChem	45033005

M. W.

220.26764

CAS

Similarity

N/A

ID: 58352

3-[(4-fluoro-2-nitrophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

$$$$ Data

M. F.

C14H15FN2O3

Suppliers	Catalog Number
Matrix Scientific	063531

Database	Data ID
PubChem	45033006

M. W.

278.2789032

CAS

Similarity

N/A

ID: 58353

3-[(4-bromo-2-fluorophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H11BrFNO

Suppliers	Catalog Number
Matrix Scientific	063532

Database	Data ID
PubChem	45032996

M. W.

284.1242432

CAS

Similarity

N/A

ID: 58354

3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one

$$$$ Data

M. F.

C13H11ClF3NO

Suppliers	Catalog Number
Matrix Scientific	063533

Database	Data ID
PubChem	45032997

M. W.

289.6807496

CAS

Similarity

N/A

ID: 58355

3-[(3-chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

$$$$ Data

M. F.

C15H18ClNO

Suppliers	Catalog Number
Matrix Scientific	063534

Database	Data ID
PubChem	790536

M. W.

263.76252

CAS

Similarity

N/A

ID: 58356

3-[(3,4-dichlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

$$$$ Data

M. F.

C14H15Cl2NO

Suppliers	Catalog Number
Matrix Scientific	063535

Database	Data ID
PubChem	840343

M. W.

284.181

CAS

Similarity

N/A

ID: 58357

3-[(4-methylphenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C13H15NO

Suppliers	Catalog Number
Matrix Scientific	063536

Database	Data ID
PubChem	2748624

M. W.

201.2643

CAS

Similarity

N/A

ID: 58358

3-[(4-fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

$$$$ Data

M. F.

C14H16FNO

Suppliers	Catalog Number
Matrix Scientific	063537

Database	Data ID
PubChem	600947

M. W.

233.2813432

CAS

Similarity

N/A

ID: 58359

3-[(4-methoxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

$$$$ Data

M. F.

C15H19NO2

Suppliers	Catalog Number
Matrix Scientific	063538

Database	Data ID
PubChem	698514

M. W.

245.31686

CAS

Similarity

N/A

ID: 58360

3-[(3-chloro-4-fluorophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H11ClFNO

Suppliers	Catalog Number
Matrix Scientific	063539

Database	Data ID
PubChem	17370146

M. W.

239.6732432

CAS

Similarity

N/A

ID: 58361

3-[(3-chloro-4-methylphenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C13H14ClNO

Suppliers	Catalog Number
Matrix Scientific	063540

Database	Data ID
PubChem	45032998

M. W.

235.70936

CAS

Similarity

N/A

ID: 58362

5,5-dimethyl-3-[(4-methylphenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C15H19NO

Suppliers	Catalog Number
Matrix Scientific	063541

Database	Data ID
PubChem	744716

M. W.

229.31746

CAS

Similarity

N/A

ID: 58363

3-[(4-fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H11FN2O3

Suppliers	Catalog Number
Matrix Scientific	063542

Database	Data ID
PubChem	1521477

M. W.

250.2257432

CAS

Similarity

N/A

ID: 58364

3-[(4-chlorophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H12ClNO

Suppliers	Catalog Number
Matrix Scientific	063543

Database	Data ID
PubChem	2748626

M. W.

221.68278

CAS

Similarity

N/A

ID: 58365

3-[(2-chloropyridin-3-yl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C11H11ClN2O

Suppliers	Catalog Number
Matrix Scientific	063544

Database	Data ID
PubChem	11031471

M. W.

222.67084

CAS

Similarity

N/A

ID: 58366

3-[(3-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

$$$$ Data

M. F.

C14H16ClNO

Suppliers	Catalog Number
Matrix Scientific	063545

Database	Data ID
PubChem	956581

M. W.

249.73594

CAS

Similarity

N/A

ID: 58367

3-[(2-chloro-4-nitrophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H11ClN2O3

Suppliers	Catalog Number
Matrix Scientific	063546

Database	Data ID
PubChem	45033007

M. W.

266.68034

CAS

Similarity

N/A

ID: 58368

3-[(2-methyl-5-nitrophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C13H14N2O3

Suppliers	Catalog Number
Matrix Scientific	063547

Database	Data ID
PubChem	45032999

M. W.

246.26186

CAS

Similarity

N/A

ID: 58369

3-[(2-chloropyridin-3-yl)amino]-5,5-dimethylcyclohex-2-en-1-one

$$$$ Data

M. F.

C13H15ClN2O

Suppliers	Catalog Number
Matrix Scientific	063548

Database	Data ID
PubChem	45033000

M. W.

250.724

CAS

Similarity

N/A

ID: 58370

3-[(3-chloro-2-methylphenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C13H14ClNO

Suppliers	Catalog Number
Matrix Scientific	063549

Database	Data ID
PubChem	888796

M. W.

235.70936

CAS

Similarity

N/A

ID: 58371

3-[(3-chlorophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H12ClNO

Suppliers	Catalog Number
Matrix Scientific	063550

Database	Data ID
PubChem	2748629

M. W.

221.68278

CAS

Similarity

N/A

ID: 58372

3-[(3-bromophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H12BrNO

Suppliers	Catalog Number
Matrix Scientific	063551

Database	Data ID
PubChem	45033001

M. W.

266.13378

CAS

Similarity

N/A

ID: 58373

3-[(2-methylphenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C13H15NO

Suppliers	Catalog Number
Matrix Scientific	063552

Database	Data ID
PubChem	45033008

M. W.

201.2643

CAS

Similarity

N/A

ID: 58374

2,3,5,6-tetramethylbenzene-1,4-dicarbaldehyde

$$$$ Data

M. F.

C12H14O2

Suppliers	Catalog Number
Matrix Scientific	063553

Database	Data ID
PubChem	352100

M. W.

190.23836

CAS

Similarity

N/A

ID: 58375

{2,4,6-triethyl-3-[(1E)-(hydroxyimino)methyl]phenyl}methanol

$$$$ Data

M. F.

C14H21NO2

Suppliers	Catalog Number
Matrix Scientific	063554

Database	Data ID
PubChem	6891493

M. W.

235.32204

CAS

Similarity

N/A

ID: 58376

(4-formyl-2,3,5,6-tetramethylphenyl)methyl acetate

$$$$ Data

M. F.

C14H18O3

Suppliers	Catalog Number
Matrix Scientific	063555

Database	Data ID
PubChem	45033002

M. W.

234.29092

CAS

Similarity

N/A

ID: 58377

[2,4,6-triethyl-3-(hydroxymethyl)phenyl]methanol

$$$$ Data

M. F.

C14H22O2

Suppliers	Catalog Number
Matrix Scientific	063556

Database	Data ID
PubChem	778775

M. W.

222.32328

CAS

Similarity

N/A

ID: 58378

3-{[2-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one

$$$$ Data

M. F.

C13H12F3NO

Suppliers	Catalog Number
Matrix Scientific	063557

Database	Data ID
PubChem	45033009

M. W.

255.2356896

CAS

Similarity

N/A

ID: 58379

2,4-bis(chloromethyl)-1,3,5-trimethylbenzene

$$$$ Data More

M. F.

C11H14Cl2

Suppliers	Catalog Number
Sigma Aldrich	D65607
Alfa Aesar	A13838
Matrix Scientific	063558

Database	Data ID
PubChem	137095

M. W.

217.13486

CAS

1585-17-7

Similarity

N/A

ID: 58380

3-(dichloromethyl)-1,2,4,5-tetramethylbenzene

$$$$ Data

M. F.

C11H14Cl2

Suppliers	Catalog Number
Matrix Scientific	063559

Database	Data ID
PubChem	642513

M. W.

217.13486

CAS

Similarity

N/A

ID: 58381

1-(2,3,5,6-tetramethylphenyl)ethan-1-one

$$$$ Data

M. F.

C12H16O

Suppliers	Catalog Number
MP Biomedicals	05225870
Alfa Aesar	L01070
Matrix Scientific	063560

Database	Data ID
PubChem	252692

M. W.

176.25484

CAS

2142-79-2

Similarity

N/A

ID: 58382

3-(hydroxymethyl)-2,4,6-trimethylbenzaldehyde

$$$$ Data

M. F.

C11H14O2

Suppliers	Catalog Number
ChemBridge	5182639
Matrix Scientific	063561

Database	Data ID
PubChem	679237

M. W.

178.22766

CAS

137380-49-5

Similarity

N/A

ID: 58383

4-(dichloromethyl)-2,3,5,6-tetramethylbenzaldehyde

$$$$ Data

M. F.

C12H14Cl2O

Suppliers	Catalog Number
Matrix Scientific	063562

Database	Data ID
PubChem	678546

M. W.

245.14496

CAS

Similarity

N/A

ID: 58384

ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

$$$$ Data

M. F.

C13H17NO3S

Suppliers	Catalog Number
Matrix Scientific	063563
Enamine	EN300-111108

Database	Data ID
PubChem	98682

M. W.

267.34398

CAS

5919-29-9

Similarity

N/A

ID: 58385

(2E)-1-phenyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C18H18O

Suppliers	Catalog Number
Matrix Scientific	063564

Database	Data ID
PubChem	5716957

M. W.

250.33492

CAS

Similarity

N/A

ID: 58386

2-[(3-oxocyclohex-1-en-1-yl)amino]benzonitrile

$$$$ Data

M. F.

C13H12N2O

Suppliers	Catalog Number
Matrix Scientific	063565

Database	Data ID
PubChem	184360

M. W.

212.24718

CAS

Similarity

N/A

ID: 58387

6-hydroxy-2-methyl-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C5H6N2O2

Suppliers	Catalog Number
Matrix Scientific	063566
Apollo Scientific	OR28490

Database	Data ID
PubChem	95157

M. W.

126.11334

CAS

5436-01-1

Similarity

N/A

ID: 58388

N,N'-dimethylethanedithioamide

$$$$ Data

M. F.

C4H8N2S2

Suppliers	Catalog Number
Matrix Scientific	063567

Database	Data ID
PubChem	1899472

M. W.

148.24972

CAS

120-79-6

Similarity

N/A

ID: 58389

2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

$$$$ Data

M. F.

C10H9NO3

Suppliers	Catalog Number
ChemBridge	4002098
Matrix Scientific	063568
Enamine	EN300-26212

Database	Data ID
PubChem	589850

M. W.

191.18336

CAS

14179-84-1

Similarity

N/A

ID: 58390

pentachlorophenyl 2-{[(benzyloxy)carbonyl]amino}acetate

$$$$ Data

M. F.

C16H10Cl5NO4

Suppliers	Catalog Number
Matrix Scientific	063569

Database	Data ID
PubChem	2053727

M. W.

457.5199

CAS

Similarity

N/A

ID: 58391

1-amino-2-methyl-9,10-dihydroanthracene-9,10-dione

$$$$ Data

M. F.

C15H11NO2

Suppliers	Catalog Number
Sigma Aldrich	42994 217093
Matrix Scientific	063570
InterBioScreen	BB_SC-1976

Database	Data ID
PubChem	6702

M. W.

237.25334

CAS

82-28-0

Similarity

N/A

ID: 58392

(E)-N,N'-diphenylethenimidamide

$$$$ Data

M. F.

C14H14N2

Suppliers	Catalog Number
Matrix Scientific	063571

Database	Data ID
PubChem	12117

M. W.

210.27436

CAS

Similarity

N/A

ID: 58393

1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonyl chloride

$$$$ Data

M. F.

C10H9ClN2O4S

Suppliers	Catalog Number
Matrix Scientific	063572

Database	Data ID
PubChem	46318333

M. W.

288.70746

CAS

Similarity

N/A

ID: 58394

2-[2-(5-sulfanyl-1H-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C12H10N4O2S

Suppliers	Catalog Number
Matrix Scientific	063573

Database	Data ID
PubChem	723564

M. W.

274.2984

CAS

Similarity

N/A

ID: 58395

butan-2-ylhydrazine

$$$$ Data

M. F.

C4H12N2

Suppliers	Catalog Number
Matrix Scientific	063574

Database	Data ID
PubChem	547690

M. W.

88.15148

CAS

30924-14-2

Similarity

N/A

ID: 58396

N-(1-bromonaphthalen-2-yl)acetamide

$$$$ Data

M. F.

C12H10BrNO

Suppliers	Catalog Number
Matrix Scientific	063575

Database	Data ID
PubChem	228180

M. W.

264.1179

CAS

Similarity

N/A

ID: 58397

diethoxymethyl acetate

$$$$ Data

M. F.

C7H14O4

Suppliers	Catalog Number
Sigma Aldrich	162140
Matrix Scientific	063577
Bide Pharmatech	BD124490

Database	Data ID
PubChem	84166

M. W.

162.18366

CAS

14036-06-7

Similarity

N/A

ID: 58398

2-benzamidobenzoic acid

$$$$ Data More

M. F.

C14H11NO3

Suppliers	Catalog Number
Matrix Scientific	063578
InterBioScreen	BB_NC-1997
Enamine	EN300-07527

Database	Data ID
PubChem	68482

M. W.

241.24204

CAS

579-93-1

Similarity

N/A

ID: 58399

bis(3-iodophenyl)methanone

$$$$ Data

M. F.

C13H8I2O

Suppliers	Catalog Number
Matrix Scientific	063579

Database	Data ID
PubChem	3908404

M. W.

434.01096

CAS

25186-99-6

Similarity

N/A

ID: 58400

(2Z)-3-[(2-ethoxyphenyl)carbamoyl]prop-2-enoic acid

$$$$ Data

M. F.

C12H13NO4

Suppliers	Catalog Number
Matrix Scientific	063580

Database	Data ID
PubChem	1581599

M. W.

235.23592

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