Chembase list of 866358 unique molecular structures

3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

$$$$ Data

M. F.

C6H9N5S

Suppliers	Catalog Number
Matrix Scientific	077374

Database	Data ID
PubChem	16489633

M. W.

183.23416

CAS

Similarity

N/A

ID: 71752

3-(methylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine

$$$$ Data

M. F.

C4H5F3N4S

Suppliers	Catalog Number
Matrix Scientific	077375
Apollo Scientific	PC32103

Database	Data ID
PubChem	2781086

M. W.

198.1695096

CAS

Similarity

N/A

ID: 71753

2-{[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

$$$$ Data

M. F.

C7H11N3O2S

Suppliers	Catalog Number
Matrix Scientific	077376

Database	Data ID
PubChem	17389888

M. W.

201.24614

CAS

Similarity

N/A

ID: 71754

2-[(4-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile

$$$$ Data

M. F.

C4H5N5S

Suppliers	Catalog Number
Matrix Scientific	077377

Database	Data ID
PubChem	12535269

M. W.

155.181

CAS

Similarity

N/A

ID: 71755

methyl 5-methyl-1H-1,2,3-triazole-4-carboxylate

$$$$ Data

M. F.

C5H7N3O2

Suppliers	Catalog Number
ChemBridge	4043035
Matrix Scientific	077378

Database	Data ID
PubChem	10307866

M. W.

141.12798

CAS

60419-70-7

Similarity

N/A

ID: 71756

2-amino-5-methylthiophene-3-carboxylic acid

$$$$ Data More

M. F.

C6H7NO2S

Suppliers	Catalog Number
Sigma Aldrich	CBR00110
ChemBridge	4032427
Matrix Scientific	077379

Database	Data ID
PubChem	21931591

M. W.

157.19028

CAS

41940-47-0

Similarity

N/A

ID: 71757

methyl 5-methylthiophene-3-carboxylate

$$$$ Data

M. F.

C7H8O2S

Suppliers	Catalog Number
Matrix Scientific	077380

Database	Data ID
PubChem	4644182

M. W.

156.20222

CAS

Similarity

N/A

ID: 71758

5-(4-nitrophenoxymethyl)thiophene-2-carboxylic acid

$$$$ Data

M. F.

C12H9NO5S

Suppliers	Catalog Number
Matrix Scientific	077381

Database	Data ID
PubChem	19620516

M. W.

279.26856

CAS

Similarity

N/A

ID: 71759

6-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C7H6N2OS

Suppliers	Catalog Number
Matrix Scientific	077382
Enamine	EN300-120390

Database	Data ID
PubChem	735018

M. W.

166.20034

CAS

Similarity

N/A

ID: 71760

methyl 5-methylthiophene-2-carboxylate

$$$$ Data

M. F.

C7H8O2S

Suppliers	Catalog Number
Matrix Scientific	077383
A&J Pharmtech	AJA-O30657

Database	Data ID
PubChem	580756

M. W.

156.20222

CAS

19432-69-0

Similarity

N/A

ID: 71761

diphenylcycloprop-2-ene-1-carboxylic acid

$$$$ Data

M. F.

C16H12O2

Suppliers	Catalog Number
Matrix Scientific	077384

Database	Data ID
PubChem	347383

M. W.

236.26528

CAS

Similarity

N/A

ID: 71762

ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate

$$$$ Data More

M. F.

C12H12ClN3O2

Suppliers	Catalog Number
Matrix Scientific	077385
Life Chemicals	F2135-0799
InterBioScreen	BB_SC-7989

Database	Data ID
PubChem	4101804

M. W.

265.69558

CAS

14678-87-6

Similarity

N/A

ID: 71763

ethyl 5-ethyl-1,2-oxazole-3-carboxylate

$$$$ Data

M. F.

C8H11NO3

Suppliers	Catalog Number
Matrix Scientific	077386

Database	Data ID
PubChem	13759262

M. W.

169.17784

CAS

Similarity

N/A

ID: 71764

3,5-dimethyl-4-(4-nitrophenoxymethyl)-1,2-oxazole

$$$$ Data

M. F.

C12H12N2O4

Suppliers	Catalog Number
Matrix Scientific	077387

Database	Data ID
PubChem	18074288

M. W.

248.23468

CAS

Similarity

N/A

ID: 71765

3,5-dimethyl-4-(2-nitrophenoxymethyl)-1,2-oxazole

$$$$ Data

M. F.

C12H12N2O4

Suppliers	Catalog Number
Matrix Scientific	077388

Database	Data ID
PubChem	16490703

M. W.

248.23468

CAS

Similarity

N/A

ID: 71766

1-(2,3-dimethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Matrix Scientific	077389

Database	Data ID
PubChem	93153

M. W.

201.22124

CAS

Similarity

N/A

ID: 71767

2-(hydroxymethyl)-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data More

M. F.

C9H7NO3

Suppliers	Catalog Number
Sigma Aldrich	H41803 55740
Alfa Aesar	B21292
Matrix Scientific	077390

Database	Data ID
PubChem	8354

M. W.

177.15678

CAS

118-29-6

Similarity

N/A

ID: 71768

1-methyl-4-phenyl-1H-imidazol-2-amine

$$$$ Data

M. F.

C10H11N3

Suppliers	Catalog Number
Matrix Scientific	077391

Database	Data ID
PubChem	16490704

M. W.

173.21444

CAS

6653-45-8

Similarity

N/A

ID: 71769

2-(1H-indol-3-yl)-2-phenylethan-1-amine; acetic acid

$$$$ Data

M. F.

C18H20N2O2

Suppliers	Catalog Number
Matrix Scientific	077392

Database	Data ID
PubChem	17389569

M. W.

296.3636

CAS

5027-78-1

Similarity

N/A

ID: 71770

3-(2-chlorophenoxymethyl)-4-methoxybenzoic acid

$$$$ Data

M. F.

C15H13ClO4

Suppliers	Catalog Number
Matrix Scientific	077393

Database	Data ID
PubChem	842787

M. W.

292.71432

CAS

Similarity

N/A

ID: 71771

3-(2,3-dichlorophenoxymethyl)-4-methoxybenzoic acid

$$$$ Data

M. F.

C15H12Cl2O4

Suppliers	Catalog Number
Matrix Scientific	077394

Database	Data ID
PubChem	842785

M. W.

327.15938

CAS

Similarity

N/A

ID: 71772

5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-2-carboxylic acid

$$$$ Data

M. F.

C15H14O4

Suppliers	Catalog Number
Matrix Scientific	077395

Database	Data ID
PubChem	725874

M. W.

258.26926

CAS

Similarity

N/A

ID: 71773

5-(2,4-dimethylphenoxymethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C14H14O4

Suppliers	Catalog Number
Matrix Scientific	077396
Enamine	EN300-53686

Database	Data ID
PubChem	7015948

M. W.

246.25856

CAS

Similarity

N/A

ID: 71774

5-(2-chloro-6-methylphenoxymethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C13H11ClO4

Suppliers	Catalog Number
Matrix Scientific	077397
Enamine	EN300-83630

Database	Data ID
PubChem	7015952

M. W.

266.67704

CAS

Similarity

N/A

ID: 71775

5-(2,4,6-trichlorophenoxymethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C12H7Cl3O4

Suppliers	Catalog Number
Matrix Scientific	077398

Database	Data ID
PubChem	3566919

M. W.

321.54058

CAS

Similarity

N/A

ID: 71776

5-(4-ethylphenoxymethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C14H14O4

Suppliers	Catalog Number
Matrix Scientific	077399
Enamine	EN300-83518

Database	Data ID
PubChem	726914

M. W.

246.25856

CAS

Similarity

N/A

ID: 71777

5-(3-formylphenoxymethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C13H10O5

Suppliers	Catalog Number
Matrix Scientific	077400

Database	Data ID
PubChem	4715123

M. W.

246.2155

CAS

Similarity

N/A

ID: 71778

5-[4-chloro-5-methyl-2-(propan-2-yl)phenoxymethyl]furan-2-carboxylic acid

$$$$ Data

M. F.

C16H17ClO4

Suppliers	Catalog Number
Matrix Scientific	077401

Database	Data ID
PubChem	4299770

M. W.

308.75678

CAS

Similarity

N/A

ID: 71779

5-(2-bromophenoxymethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C12H9BrO4

Suppliers	Catalog Number
Matrix Scientific	077402
Enamine	EN300-92856

Database	Data ID
PubChem	580492

M. W.

297.10146

CAS

Similarity

N/A

ID: 71780

5-(2,3-dichlorophenoxymethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C12H8Cl2O4

Suppliers	Catalog Number
Matrix Scientific	077403
Enamine	EN300-83626

Database	Data ID
PubChem	842769

M. W.

287.09552

CAS

Similarity

N/A

ID: 71781

5-(4-ethoxyphenoxymethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C14H14O5

Suppliers	Catalog Number
Matrix Scientific	077404

Database	Data ID
PubChem	756954

M. W.

262.25796

CAS

Similarity

N/A

ID: 71782

5-(2,4-difluorophenoxymethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C12H8F2O4

Suppliers	Catalog Number
Matrix Scientific	077405
Enamine	EN300-83625

Database	Data ID
PubChem	4715124

M. W.

254.1863264

CAS

Similarity

N/A

ID: 71783

5-(4-chloro-2-methylphenoxymethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C13H11ClO4

Suppliers	Catalog Number
Matrix Scientific	077406
Enamine	EN300-83628

Database	Data ID
PubChem	4682003

M. W.

266.67704

CAS

Similarity

N/A

ID: 71784

5-(2-nitrophenoxymethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C12H9NO6

Suppliers	Catalog Number
Matrix Scientific	077407

Database	Data ID
PubChem	580712

M. W.

263.20296

CAS

Similarity

N/A

ID: 71785

5-(2-formylphenoxymethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C13H10O5

Suppliers	Catalog Number
Matrix Scientific	077408
InterBioScreen	BB_SC-7970

Database	Data ID
PubChem	4715125

M. W.

246.2155

CAS

Similarity

N/A

ID: 71786

3-(2,5-dimethylphenoxymethyl)-4-methoxybenzoic acid

$$$$ Data

M. F.

C17H18O4

Suppliers	Catalog Number
Matrix Scientific	077409

Database	Data ID
PubChem	842788

M. W.

286.32242

CAS

Similarity

N/A

ID: 71787

3-(2-bromophenoxymethyl)-4-methoxybenzoic acid

$$$$ Data

M. F.

C15H13BrO4

Suppliers	Catalog Number
Matrix Scientific	077410

Database	Data ID
PubChem	842768

M. W.

337.16532

CAS

Similarity

N/A

ID: 71788

2-(3-amino-1H-pyrazol-1-yl)acetohydrazide

$$$$ Data

M. F.

C5H9N5O

Suppliers	Catalog Number
Matrix Scientific	077411

Database	Data ID
PubChem	53371452

M. W.

155.15786

CAS

Similarity

N/A

ID: 71789

5-cyclopropyl-1H-pyrazole

$$$$ Data More

M. F.

C6H8N2

Suppliers	Catalog Number
ChemBridge	4031734
Matrix Scientific	077412
Enamine	EN300-54201

Database	Data ID
PubChem	7017816

M. W.

108.14112

CAS

100114-57-6

Similarity

N/A

ID: 71790

methyl 2-(4-nitro-1H-pyrazol-1-yl)acetate

$$$$ Data

M. F.

C6H7N3O4

Suppliers	Catalog Number
Matrix Scientific	077413
Enamine	EN300-31074

Database	Data ID
PubChem	4986742

M. W.

185.13748

CAS

Similarity

N/A

ID: 71791

2-(1H-pyrazol-1-yl)acetohydrazide

$$$$ Data

M. F.

C5H8N4O

Suppliers	Catalog Number
ChemBridge	4035305
Matrix Scientific	077414

Database	Data ID
PubChem	17024596

M. W.

140.14322

CAS

934175-49-2

Similarity

N/A

ID: 71792

2-[(4-amino-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid

$$$$ Data

M. F.

C13H15N3O2

Suppliers	Catalog Number
Matrix Scientific	077415

Database	Data ID
PubChem	53371453

M. W.

245.2771

CAS

Similarity

N/A

ID: 71793

2-(trimethyl-1H-pyrazol-4-yl)acetamide

$$$$ Data

M. F.

C8H13N3O

Suppliers	Catalog Number
Matrix Scientific	077416
Enamine	EN300-68911

Database	Data ID
PubChem	41031989

M. W.

167.20832

CAS

Similarity

N/A

ID: 71794

1-methyl-3-nitro-1H-pyrazole-5-carboxylic acid

$$$$ Data

M. F.

C5H5N3O4

Suppliers	Catalog Number
Matrix Scientific	077417
Enamine	EN300-92745

Database	Data ID
PubChem	5200387

M. W.

171.1109

CAS

Similarity

N/A

ID: 71795

methyl 2-(4-amino-1H-pyrazol-1-yl)acetate hydrochloride

$$$$ Data

M. F.

C6H10ClN3O2

Suppliers	Catalog Number
Matrix Scientific	077418
Enamine	EN300-50924

Database	Data ID
PubChem	45791804

M. W.

191.6155

CAS

Similarity

N/A

ID: 71796

1,5-dimethyl-1H-pyrazole-4-carboxamide

$$$$ Data

M. F.

C6H9N3O

Suppliers	Catalog Number
Matrix Scientific	077419

Database	Data ID
PubChem	13484699

M. W.

139.15516

CAS

Similarity

N/A

ID: 71797

ethyl 2-(3-nitro-1H-pyrazol-1-yl)acetate

$$$$ Data

M. F.

C7H9N3O4

Suppliers	Catalog Number
Matrix Scientific	077420

Database	Data ID
PubChem	5209350

M. W.

199.16406

CAS

Similarity

N/A

ID: 71798

trimethyl-1H-pyrazole-4-sulfonic acid

$$$$ Data

M. F.

C6H10N2O3S

Suppliers	Catalog Number
Matrix Scientific	077421

Database	Data ID
PubChem	3102534

M. W.

190.2202

CAS

Similarity

N/A

ID: 71799

2-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile

$$$$ Data

M. F.

C8H10ClN3

Suppliers	Catalog Number
Matrix Scientific	077422

Database	Data ID
PubChem	53371454

M. W.

183.6381

CAS

Similarity

N/A

ID: 71800

3-(5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl)propanoic acid

$$$$ Data

M. F.

C9H14N2O4

Suppliers	Catalog Number
Matrix Scientific	077423

Database	Data ID
PubChem	53371455

M. W.

214.21846

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