Chembase list of 866358 unique molecular structures

tert-butyl 3-(bromomethyl)-6-fluoro-1H-indazole-1-carboxylate

$$$$

M. F.

C13H14BrFN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20238

Database

Data ID

M. W.

329.1648632

CAS

Similarity

N/A

ID: 803552

tert-butyl 3-(bromomethyl)-7-fluoro-1H-indazole-1-carboxylate

$$$$

M. F.

C13H14BrFN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20239

Database

Data ID

M. W.

329.1648632

CAS

Similarity

N/A

ID: 803553

tert-butyl 3-(bromomethyl)-5-methoxy-1H-indazole-1-carboxylate

$$$$

M. F.

C14H17BrN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20240

Database

Data ID

M. W.

341.20038

CAS

Similarity

N/A

ID: 803554

tert-butyl 3-(bromomethyl)-6-methoxy-1H-indazole-1-carboxylate

$$$$

M. F.

C14H17BrN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20241

Database

Data ID

M. W.

341.20038

CAS

Similarity

N/A

ID: 803555

tert-butyl 3-(bromomethyl)-7-methoxy-1H-indazole-1-carboxylate

$$$$

M. F.

C14H17BrN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20242

Database

Data ID

M. W.

341.20038

CAS

Similarity

N/A

ID: 803556

tert-butyl 5-(benzyloxy)-3-(bromomethyl)-1H-indazole-1-carboxylate

$$$$

M. F.

C20H21BrN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20243

Database

Data ID

M. W.

417.29634

CAS

944904-81-8

Similarity

N/A

ID: 803557

tert-butyl 3-(bromomethyl)-5-nitro-1H-indazole-1-carboxylate

$$$$

M. F.

C13H14BrN3O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20244

Database

Data ID

M. W.

356.17196

CAS

942189-50-6

Similarity

N/A

ID: 803558

tert-butyl 3-(bromomethyl)-5-chloro-1H-indazole-1-carboxylate

$$$$

M. F.

C13H14BrClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20245

Database

Data ID

M. W.

345.61946

CAS

944899-43-8

Similarity

N/A

ID: 803559

tert-butyl 3-(bromomethyl)-6-chloro-1H-indazole-1-carboxylate

$$$$

M. F.

C13H14BrClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20246

Database

Data ID

M. W.

345.61946

CAS

Similarity

N/A

ID: 803560

tert-butyl 5-bromo-3-(bromomethyl)-1H-indazole-1-carboxylate

$$$$

M. F.

C13H14Br2N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20247

Database

Data ID

M. W.

390.07046

CAS

944899-46-1

Similarity

N/A

ID: 803561

2-(6-amino-1H-indazol-3-yl)acetate

$$$$

M. F.

C9H8N3O2-

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20248

Database

Data ID

M. W.

190.17872

CAS

851652-52-3

Similarity

N/A

ID: 803562

methyl 2-(3-iodo-1H-indazol-1-yl)acetate

$$$$

M. F.

C10H9IN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20249

Database

Data ID

M. W.

316.09513

CAS

Similarity

N/A

ID: 803563

methyl 2-(1H-indazol-1-yl)acetate

$$$$

M. F.

C10H10N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20250

Database

Data ID

M. W.

190.1986

CAS

Similarity

N/A

ID: 803564

2-(5-fluoro-1H-indazol-1-yl)acetic acid

$$$$

M. F.

C9H7FN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20251

Database

Data ID

M. W.

194.1624832

CAS

Similarity

N/A

ID: 803565

2-(5-bromo-1H-indazol-1-yl)acetic acid

$$$$

M. F.

C9H7BrN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20252

Database

Data ID

M. W.

255.06808

CAS

Similarity

N/A

ID: 803566

2-hydroxy-6-nitrobenzaldehyde

$$$$

M. F.

C7H5NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20253

Database

Data ID

M. W.

167.1189

CAS

16855-08-6

Similarity

N/A

ID: 803567

5-nitro-2H-1,3-benzodioxole-4-carbaldehyde

$$$$

M. F.

C8H5NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20254

Database

Data ID

M. W.

195.129

CAS

28310-13-6

Similarity

N/A

ID: 803568

3-(benzyloxy)-2-nitrobenzaldehyde

$$$$

M. F.

C14H11NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20255

Database

Data ID

M. W.

257.24144

CAS

68847-70-1

Similarity

N/A

ID: 803569

3-formyl-4-nitrobenzonitrile

$$$$

M. F.

C8H4N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20256

Database

Data ID

M. W.

176.12896

CAS

90178-82-8

Similarity

N/A

ID: 803570

2-methyl-6-nitrobenzaldehyde

$$$$

M. F.

C8H7NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20258

Database

Data ID

M. W.

165.14608

CAS

107096-52-6

Similarity

N/A

ID: 803571

3-nitropyridine-2-carbaldehyde

$$$$

M. F.

C6H4N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20259

Database

Data ID

M. W.

152.10756

CAS

10261-94-6

Similarity

N/A

ID: 803572

6-methoxy-3-nitropyridine-2-carbaldehyde

$$$$

M. F.

C7H6N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20260

Database

Data ID

M. W.

182.13354

CAS

871583-87-8

Similarity

N/A

ID: 803573

4-methyl-3-nitropyridine-2-carbaldehyde

$$$$

M. F.

C7H6N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20261

Database

Data ID

M. W.

166.13414

CAS

21203-74-7

Similarity

N/A

ID: 803574

5-methyl-3-nitropyridine-2-carbaldehyde

$$$$

M. F.

C7H6N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20262

Database

Data ID

M. W.

166.13414

CAS

52381-07-4

Similarity

N/A

ID: 803575

4-nitropyridine-3-carbaldehyde

$$$$

M. F.

C6H4N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20263

Database

Data ID

M. W.

152.10756

CAS

944899-52-9

Similarity

N/A

ID: 803576

3-formyl-4-nitropyridin-1-ium-1-olate

$$$$

M. F.

C6H4N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20264

Database

Data ID

M. W.

168.10696

CAS

266353-32-6

Similarity

N/A

ID: 803577

2-amino-5-methoxybenzaldehyde

$$$$

M. F.

C8H9NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20266

Database

Data ID

M. W.

151.16256

CAS

26831-52-7

Similarity

N/A

ID: 803578

2-amino-6-chlorobenzaldehyde

$$$$

M. F.

C7H6ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20268

Database

Data ID

M. W.

155.58164

CAS

Similarity

N/A

ID: 803579

2-amino-4-chlorobenzaldehyde

$$$$

M. F.

C7H6ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20269

Database

Data ID

M. W.

155.58164

CAS

59236-37-2

Similarity

N/A

ID: 803580

2-amino-5-methylbenzaldehyde

$$$$

M. F.

C8H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20271

Database

Data ID

M. W.

135.16316

CAS

109467-00-7

Similarity

N/A

ID: 803581

2-amino-4-(trifluoromethyl)benzaldehyde

$$$$

M. F.

C8H6F3NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20272

Database

Data ID

M. W.

189.1345496

CAS

109466-88-8

Similarity

N/A

ID: 803582

2-amino-5-fluorobenzaldehyde

$$$$

M. F.

C7H6FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20273

Database

Data ID

M. W.

139.1270432

CAS

146829-56-3

Similarity

N/A

ID: 803583

(2S)-2-propylpyrrolidine

$$$$

M. F.

C7H15N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20274

Database

Data ID

M. W.

113.2007

CAS

41720-99-4

Similarity

N/A

ID: 803584

methyl 2-[(2S)-pyrrolidin-2-yl]acetate

$$$$

M. F.

C7H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20275

Database

Data ID

M. W.

143.18362

CAS

53912-83-7

Similarity

N/A

ID: 803585

2-(piperazin-1-yl)pyrimidine-5-carbaldehyde

$$$$

M. F.

C9H12N4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20278

Database

Data ID

M. W.

192.21778

CAS

Similarity

N/A

ID: 803586

2-(1H-pyrazol-1-yl)pyrimidine-5-carbaldehyde

$$$$

M. F.

C8H6N4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20279

Database

Data ID

M. W.

174.15944

CAS

1017795-11-7

Similarity

N/A

ID: 803587

2-(1H-imidazol-1-yl)pyrimidine-5-carbaldehyde

$$$$

M. F.

C8H6N4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20280

Database

Data ID

M. W.

174.15944

CAS

Similarity

N/A

ID: 803588

2-(2,2,2-trifluoroethoxy)pyrimidine-5-carbaldehyde

$$$$

M. F.

C7H5F3N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20281

Database

Data ID

M. W.

206.1220096

CAS

Similarity

N/A

ID: 803589

2-phenoxypyrimidine-5-carbaldehyde

$$$$

M. F.

C11H8N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20282

Database

Data ID

M. W.

200.19342

CAS

Similarity

N/A

ID: 803590

2-hydroxypyrimidine-5-carbaldehyde

$$$$

M. F.

C5H4N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20283

Database

Data ID

M. W.

124.09746

CAS

166757-62-6

Similarity

N/A

ID: 803591

benzyl N-[(5-formylpyrimidin-2-yl)methyl]carbamate

$$$$

M. F.

C14H13N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20284

Database

Data ID

M. W.

271.27132

CAS

Similarity

N/A

ID: 803592

benzyl N-[2-(5-formylpyrimidin-2-yl)ethyl]carbamate

$$$$

M. F.

C15H15N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20285

Database

Data ID

M. W.

285.2979

CAS

Similarity

N/A

ID: 803593

2-(piperazin-1-yl)pyrimidine-5-carboxylic acid

$$$$

M. F.

C9H12N4O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20286

Database

Data ID

M. W.

208.21718

CAS

Similarity

N/A

ID: 803594

2-(1H-pyrazol-1-yl)pyrimidine-5-carboxylic acid

$$$$

M. F.

C8H6N4O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20287

Database

Data ID

M. W.

190.15884

CAS

Similarity

N/A

ID: 803595

2-(1H-imidazol-1-yl)pyrimidine-5-carboxylic acid

$$$$

M. F.

C8H6N4O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20288

Database

Data ID

M. W.

190.15884

CAS

Similarity

N/A

ID: 803596

2-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylic acid

$$$$

M. F.

C7H5F3N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20289

Database

Data ID

M. W.

222.1214096

CAS

Similarity

N/A

ID: 803597

2-phenoxypyrimidine-5-carboxylic acid

$$$$

M. F.

C11H8N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20290

Database

Data ID

M. W.

216.19282

CAS

Similarity

N/A

ID: 803598

(2-methylpyrimidin-5-yl)methanamine

$$$$

M. F.

C6H9N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20292

Database

Data ID

M. W.

123.15576

CAS

14273-46-2

Similarity

N/A

ID: 803599

[2-(methylsulfanyl)pyrimidin-5-yl]methanamine

$$$$

M. F.

C6H9N3S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20293

Database

Data ID

M. W.

155.22076

CAS

762219-70-5

Similarity

N/A

ID: 803600

5-(aminomethyl)pyrimidin-2-amine

$$$$

M. F.

C5H8N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20294

Database

Data ID

M. W.

124.14382

CAS

672324-80-0

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