Chembase list of 866358 unique molecular structures

(4Z)-4-(hydroxyimino)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

$$$$ Data

M. F.

C10H9N3O2

Suppliers	Catalog Number
Matrix Scientific	063581
Enamine	EN300-05499

Database	Data ID
PubChem	608928

M. W.

203.19736

CAS

Similarity

N/A

ID: 58402

(3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one

$$$$ Data

M. F.

C15H12O7

Suppliers	Catalog Number
Matrix Scientific	063582

Database	Data ID
PubChem	12309272

M. W.

304.25158

CAS

480-18-2

Similarity

N/A

ID: 58403

1-(2,5-dichlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one

$$$$ Data

M. F.

C10H8Cl2N2O

Suppliers	Catalog Number
Matrix Scientific	063583

Database	Data ID
PubChem	83139

M. W.

243.08932

CAS

13102-34-6

Similarity

N/A

ID: 58404

ethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate

$$$$ Data

M. F.

C12H11NO4

Suppliers	Catalog Number
Matrix Scientific	063584

Database	Data ID
PubChem	95202

M. W.

233.22004

CAS

Similarity

N/A

ID: 58405

4-chloro-1-hydroxynaphthalene-2-carboxylic acid

$$$$ Data

M. F.

C11H7ClO3

Suppliers	Catalog Number
Matrix Scientific	063585
Enamine	EN300-43294
A&J Pharmtech	AJA-O10536

Database	Data ID
PubChem	79416

M. W.

222.62448

CAS

5409-15-4

Similarity

N/A

ID: 58406

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

$$$$ Data

M. F.

C11H11NO3

Suppliers	Catalog Number
Matrix Scientific	063586

Database	Data ID
PubChem	24721678

M. W.

205.20994

CAS

Similarity

N/A

ID: 58407

1,3-thiazole-5-carboxylic acid

$$$$ Data More

M. F.

C4H3NO2S

Suppliers	Catalog Number
Matrix Scientific	063587
Apollo Scientific	OR5586
Enamine	EN300-25461

Database	Data ID
PubChem	84494

M. W.

129.13712

CAS

14527-41-4

Similarity

N/A

ID: 58408

adamantane-1-carboxamide

$$$$ Data More

M. F.

C11H17NO

Suppliers	Catalog Number
Alfa Aesar	B21375
Matrix Scientific	063588
Apollo Scientific	OR27248

Database	Data ID
PubChem	21686

M. W.

179.25878

CAS

5511-18-2

Similarity

N/A

ID: 58409

1-methyladamantane

$$$$ Data

M. F.

C11H18

Suppliers	Catalog Number
Matrix Scientific	063589
TRC	M320050
A&J Pharmtech	AJA-O12684

Database	Data ID
PubChem	136607

M. W.

150.26062

CAS

768-91-2

Similarity

N/A

ID: 58410

2-(adamantan-1-yl)acetonitrile

$$$$ Data

M. F.

C12H17N

Suppliers	Catalog Number
Alfa Aesar	B24770
Matrix Scientific	063590
Apollo Scientific	OR01494

Database	Data ID
PubChem	140052

M. W.

175.27008

CAS

16269-13-9

Similarity

N/A

ID: 58411

4-(4-aminophenyl)phenol

$$$$ Data

M. F.

C12H11NO

Suppliers	Catalog Number
Matrix Scientific	063591

Database	Data ID
PubChem	14565

M. W.

185.22184

CAS

1204-79-1

Similarity

N/A

ID: 58412

4-methyl-1,2,3-thiadiazole-5-carbohydrazide

$$$$ Data

M. F.

C4H6N4OS

Suppliers	Catalog Number
Sigma Aldrich	546399
Matrix Scientific	063592
Apollo Scientific	OR23650

Database	Data ID
PubChem	1419752

M. W.

158.18164

CAS

75423-15-3

Similarity

N/A

ID: 58413

3-(4-bromobenzoyl)pyridine

$$$$ Data

M. F.

C12H8BrNO

Suppliers	Catalog Number
Matrix Scientific	063593
Enamine	EN300-73403

Database	Data ID
PubChem	84519

M. W.

262.10202

CAS

Similarity

N/A

ID: 58414

1-bromo-3-(1-bromoethyl)adamantane

$$$$ Data

M. F.

C12H18Br2

Suppliers	Catalog Number
Matrix Scientific	063594

Database	Data ID
PubChem	3301100

M. W.

322.07932

CAS

Similarity

N/A

ID: 58415

3-bromoadamantane-1-carboxylic acid

$$$$ Data More

M. F.

C11H15BrO2

Suppliers	Catalog Number
Alfa Aesar	H60580
Matrix Scientific	063595
Maybridge	NRB01917

Database	Data ID
PubChem	30818

M. W.

259.1396

CAS

21816-08-0

Similarity

N/A

ID: 58416

3,5,7-trimethyladamantane-1-carboxylic acid

$$$$ Data

M. F.

C14H22O2

Suppliers	Catalog Number
Matrix Scientific	063596
Maybridge	BTB12973

Database	Data ID
PubChem	2802268

M. W.

222.32328

CAS

15291-66-4

Similarity

N/A

ID: 58417

4-oxoadamantane-1-carboxylic acid

$$$$ Data More

M. F.

C11H14O3

Suppliers	Catalog Number
ChemBridge	5343854
Matrix Scientific	063597
Apollo Scientific	OR42019

Database	Data ID
PubChem	2842515

M. W.

194.22706

CAS

56674-87-4

Similarity

N/A

ID: 58418

4-oxoadamantane-1-carboxamide

$$$$ Data

M. F.

C11H15NO2

Suppliers	Catalog Number
ChemBridge	4012470
Matrix Scientific	063598

Database	Data ID
PubChem	2843432

M. W.

193.2423

CAS

155396-16-0

Similarity

N/A

ID: 58419

1-(adamantan-1-yl)adamantane

$$$$ Data

M. F.

C20H30

Suppliers	Catalog Number
Matrix Scientific	063599

Database	Data ID
PubChem	138028

M. W.

270.4522

CAS

Similarity

N/A

ID: 58420

N-(4-oxoadamantan-1-yl)acetamide

$$$$ Data

M. F.

C12H17NO2

Suppliers	Catalog Number
ChemBridge	4012469
Matrix Scientific	063600

Database	Data ID
PubChem	5338964

M. W.

207.26888

CAS

16790-59-3

Similarity

N/A

ID: 58421

2-(adamantan-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C18H19NO2

Suppliers	Catalog Number
Matrix Scientific	063601

Database	Data ID
PubChem	477698

M. W.

281.34896

CAS

Similarity

N/A

ID: 58422

N-phenylpyridin-4-amine

$$$$ Data

M. F.

C11H10N2

Suppliers	Catalog Number
Matrix Scientific	063602

Database	Data ID
PubChem	89945

M. W.

170.2105

CAS

Similarity

N/A

ID: 58423

N,N-diethyl-4-[(E)-2-nitroethenyl]aniline

$$$$ Data

M. F.

C12H16N2O2

Suppliers	Catalog Number
Matrix Scientific	063603
Enamine	EN300-13936

Database	Data ID
PubChem	5375781

M. W.

220.26764

CAS

Similarity

N/A

ID: 58424

4-(4-phenoxyphenyl)butanoic acid

$$$$ Data

M. F.

C16H16O3

Suppliers	Catalog Number
Matrix Scientific	063604

Database	Data ID
PubChem	248891

M. W.

256.29644

CAS

Similarity

N/A

ID: 58425

1-[(1E)-prop-1-en-1-yl]adamantane

$$$$ Data

M. F.

C13H20

Suppliers	Catalog Number
Matrix Scientific	063605

Database	Data ID
PubChem	5368548

M. W.

176.2979

CAS

Similarity

N/A

ID: 58426

bicyclo[3.3.1]nonane-2,6-dione

$$$$ Data

M. F.

C9H12O2

Suppliers	Catalog Number
Matrix Scientific	063606
Maybridge	BTB12430
Enamine	EN300-16715

Database	Data ID
PubChem	140084

M. W.

152.19038

CAS

16473-11-3

Similarity

N/A

ID: 58427

ethyl adamantane-1-carboxylate

$$$$ Data

M. F.

C13H20O2

Suppliers	Catalog Number
Alfa Aesar	B24518
Matrix Scientific	063607

Database	Data ID
PubChem	123141

M. W.

208.2967

CAS

2094-73-7

Similarity

N/A

ID: 58428

3-hydroxyadamantane-1-carbohydrazide

$$$$ Data

M. F.

C11H18N2O2

Suppliers	Catalog Number
Matrix Scientific	063608

Database	Data ID
PubChem	4660559

M. W.

210.27282

CAS

Similarity

N/A

ID: 58429

2-(adamantan-1-yl)oxirane

$$$$ Data

M. F.

C12H18O

Suppliers	Catalog Number
ChemBridge	4013915
Matrix Scientific	063609

Database	Data ID
PubChem	14612631

M. W.

178.27072

CAS

28173-62-8

Similarity

N/A

ID: 58430

1,3,5-trimethyladamantane

$$$$ Data

M. F.

C13H22

Suppliers	Catalog Number
Matrix Scientific	063610
TRC	T795780

Database	Data ID
PubChem	136552

M. W.

178.31378

CAS

707-35-7

Similarity

N/A

ID: 58431

1-nitro-4-[(1E)-2-nitroprop-1-en-1-yl]benzene

$$$$ Data

M. F.

C9H8N2O4

Suppliers	Catalog Number
Matrix Scientific	063611

Database	Data ID
PubChem	5355964

M. W.

208.17082

CAS

Similarity

N/A

ID: 58432

3-(3-bromo-1,2-oxazol-5-yl)propanoic acid

$$$$ Data

M. F.

C6H6BrNO3

Suppliers	Catalog Number
Matrix Scientific	063612

Database	Data ID
PubChem	327718

M. W.

220.02074

CAS

Similarity

N/A

ID: 58433

[(adamantan-1-yl)amino]carbonitrile

$$$$ Data

M. F.

C11H16N2

Suppliers	Catalog Number
Matrix Scientific	063613

Database	Data ID
PubChem	12435846

M. W.

176.25814

CAS

Similarity

N/A

ID: 58434

5-chloroadamantan-2-one

$$$$ Data

M. F.

C10H13ClO

Suppliers	Catalog Number
Alfa Aesar	B21028
Matrix Scientific	063614

Database	Data ID
PubChem	334400

M. W.

184.66262

CAS

20098-17-3

Similarity

N/A

ID: 58435

2-(adamantan-2-ylidene)acetonitrile

$$$$ Data

M. F.

C12H15N

Suppliers	Catalog Number
Matrix Scientific	063615

Database	Data ID
PubChem	5305344

M. W.

173.2542

CAS

Similarity

N/A

ID: 58436

2-phenyladamantan-2-ol

$$$$ Data

M. F.

C16H20O

Suppliers	Catalog Number
Matrix Scientific	063616

Database	Data ID
PubChem	571171

M. W.

228.3294

CAS

Similarity

N/A

ID: 58437

2-(2-aminophenyl)propan-2-ol

$$$$ Data

M. F.

C9H13NO

Suppliers	Catalog Number
ChemBridge	4043465
Matrix Scientific	063617

Database	Data ID
PubChem	253527

M. W.

151.20562

CAS

15833-00-8

Similarity

N/A

ID: 58438

methyl 2-methyl-3-(2-oxocyclohexyl)propanoate

$$$$ Data

M. F.

C11H18O3

Suppliers	Catalog Number
Matrix Scientific	063618

Database	Data ID
PubChem	9990320

M. W.

198.25882

CAS

Similarity

N/A

ID: 58439

5-chloro-3-methoxy-2-nitrobenzoic acid

$$$$ Data

M. F.

C8H6ClNO5

Suppliers	Catalog Number
Matrix Scientific	063619

Database	Data ID
PubChem	24721180

M. W.

231.58994

CAS

Similarity

N/A

ID: 58440

3-(1H-indol-3-yl)-1H-indole

$$$$ Data

M. F.

C16H12N2

Suppliers	Catalog Number
Matrix Scientific	063621

Database	Data ID
PubChem	283351

M. W.

232.27988

CAS

13637-37-1

Similarity

N/A

ID: 58441

4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzohydrazide

$$$$ Data

M. F.

C14H13N5O

Suppliers	Catalog Number
Matrix Scientific	063622

Database	Data ID
PubChem	12158063

M. W.

267.28592

CAS

Similarity

N/A

ID: 58442

2-(adamantan-1-yl)-4-methylphenol

$$$$ Data

M. F.

C17H22O

Suppliers	Catalog Number
Matrix Scientific	063623
Apollo Scientific	OR24584

Database	Data ID
PubChem	617992

M. W.

242.35598

CAS

41031-50-9

Similarity

N/A

ID: 58443

6H-indolo[2,3-b]quinoxaline

$$$$ Data

M. F.

C14H9N3

Suppliers	Catalog Number
Matrix Scientific	063624

Database	Data ID
PubChem	5356192

M. W.

219.24136

CAS

Similarity

N/A

ID: 58444

5,6-dinitro-2,3-dihydro-1,4-benzodioxine

$$$$ Data

M. F.

C8H6N2O6

Suppliers	Catalog Number
Matrix Scientific	063625

Database	Data ID
PubChem	3521401

M. W.

226.14304

CAS

Similarity

N/A

ID: 58445

7,8-dinitro-2,3-dihydro-1,4-benzodioxin-6-amine

$$$$ Data

M. F.

C8H7N3O6

Suppliers	Catalog Number
Matrix Scientific	063626

Database	Data ID
PubChem	46318337

M. W.

241.15768

CAS

Similarity

N/A

ID: 58446

5,6-dibromo-1,2-dihydroacenaphthylene

$$$$ Data

M. F.

C12H8Br2

Suppliers	Catalog Number
Matrix Scientific	063627

Database	Data ID
PubChem	146477

M. W.

311.99992

CAS

Similarity

N/A

ID: 58447

5-nitrobenzene-1,3-diamine

$$$$ Data

M. F.

C6H7N3O2

Suppliers	Catalog Number
Matrix Scientific	063628

Database	Data ID
PubChem	21134

M. W.

153.13868

CAS

5042-55-7

Similarity

N/A

ID: 58448

4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol

$$$$ Data

M. F.

C16H16O3

Suppliers	Catalog Number
Sigma Aldrich	P1499
Matrix Scientific	063629
Bide Pharmatech	BD149449

Database	Data ID
Wikipedia	Pterostilbene
PubChem	5281727

M. W.

256.29644

CAS

537-42-8

Similarity

N/A

ID: 58449

4-nitrobenzene-1,3-diol

$$$$ Data

M. F.

C6H5NO4

Suppliers	Catalog Number
Matrix Scientific	063630
Enamine	EN300-50105

Database	Data ID
PubChem	76623

M. W.

155.1082

CAS

Similarity

N/A

ID: 58450

4-chloro-3-nitrobenzene-1-thiol

$$$$ Data

M. F.

C6H4ClNO2S

Suppliers	Catalog Number
Matrix Scientific	063631

Database	Data ID
PubChem	24721179

M. W.

189.61946

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