Chembase list of 866358 unique molecular structures

(2S,3S)-2-[2-(1H-indol-3-yl)acetamido]-3-methylpentanoic acid

$$$$ Data

M. F.

C16H20N2O3

Suppliers	Catalog Number
Sigma Aldrich	347914

Database	Data ID
PubChem	644226

M. W.

288.3416

CAS

57105-45-0

Similarity

N/A

ID: 146452

(2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol

$$$$ Data

M. F.

C6H12O4

Suppliers	Catalog Number
Sigma Aldrich	349046
Alfa Aesar	H27181
TRC	M298215

Database	Data ID
PubChem	10154128

M. W.

148.15708

CAS

60134-26-1

Similarity

N/A

ID: 146453

dimethyl trimethylsilyl phosphite

$$$$ Data

M. F.

C5H15O3PSi

Suppliers	Catalog Number
Sigma Aldrich	358819 41725

Database	Data ID
PubChem	118926

M. W.

182.230061

CAS

36198-87-5

Similarity

N/A

ID: 146454

1-chlorononane

$$$$ Data

M. F.

C9H19Cl

Suppliers	Catalog Number
Sigma Aldrich	238457
Alfa Aesar	L09909

Database	Data ID
PubChem	17185

M. W.

162.70016

CAS

2473-01-0

Similarity

N/A

ID: 146455

2-amino-4-chloro-5-nitrophenol

$$$$ Data

M. F.

C6H5ClN2O3

Suppliers	Catalog Number
Sigma Aldrich	246417
Bide Pharmatech	BD70109
A&J Pharmtech	AJA-O4193

Database	Data ID
PubChem	3894848

M. W.

188.5685

CAS

6358-07-2

Similarity

N/A

ID: 146456

2-benzoyl-5-(prop-2-en-1-yloxy)phenol

$$$$ Data

M. F.

C16H14O3

Suppliers	Catalog Number
Sigma Aldrich	415839

Database	Data ID
PubChem	75689

M. W.

254.28056

CAS

2549-87-3

Similarity

N/A

ID: 146457

2,6-diphenylcyclohexan-1-one

$$$$ Data

M. F.

C18H18O

Suppliers	Catalog Number
Sigma Aldrich	424714

Database	Data ID
PubChem	619480

M. W.

250.33492

CAS

37904-84-0

Similarity

N/A

ID: 146458

2,6-bis(pyridin-2-yl)pyridine dichloroplatinum dihydrate

$$$$ Data

M. F.

C15H15Cl2N3O2Pt

Suppliers	Catalog Number
Sigma Aldrich	26420 288098

Database	Data ID
PubChem	16211752

M. W.

535.2825

CAS

151120-25-1

Similarity

N/A

ID: 146459

(di-tert-butylamino)oxidanyl

$$$$ Data

M. F.

C8H18NO

Suppliers	Catalog Number
Sigma Aldrich	300721

Database	Data ID
PubChem	520092

M. W.

144.23462

CAS

2406-25-9

Similarity

N/A

ID: 146460

(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene

$$$$ Data

M. F.

C35H26

Suppliers	Catalog Number
Sigma Aldrich	305286
Alfa Aesar	H27223

Database	Data ID
PubChem	635023

M. W.

446.58094

CAS

2519-10-0

Similarity

N/A

ID: 146461

propanoyl bromide

$$$$ Data

M. F.

C3H5BrO

Suppliers	Catalog Number
Sigma Aldrich	307572

Database	Data ID
PubChem	69018

M. W.

136.9752

CAS

598-22-1

Similarity

N/A

ID: 146462

1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one

$$$$ Data

M. F.

C7H9NO

Suppliers	Catalog Number
Sigma Aldrich	309869

Database	Data ID
PubChem	523057

M. W.

123.15246

CAS

932-62-7

Similarity

N/A

ID: 146463

sodium benzenolate trihydrate

$$$$ Data

M. F.

C6H11NaO4

Suppliers	Catalog Number
Sigma Aldrich	318191

Database	Data ID
PubChem	23681143

M. W.

170.13891

CAS

156150-40-2

Similarity

N/A

ID: 146464

2-(2H-1,2,3-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol

$$$$ Data

M. F.

C20H25N3O

Suppliers	Catalog Number
Sigma Aldrich	322806
Bide Pharmatech	BD1258

Database	Data ID
PubChem	62485

M. W.

323.432

CAS

3147-75-9

Similarity

N/A

ID: 146465

1-hydroxycyclohexane-1-carbonitrile

$$$$ Data

M. F.

C7H11NO

Suppliers	Catalog Number
Sigma Aldrich	326186
Alfa Aesar	H26699

Database	Data ID
PubChem	13610

M. W.

125.16834

CAS

931-97-5

Similarity

N/A

ID: 146466

4-({oxo[(4-oxopent-2-en-2-yl)oxy]titanio}oxy)pent-3-en-2-one

$$$$ Data

M. F.

C10H14O5Ti

Suppliers	Catalog Number
Sigma Aldrich	330833

Database	Data ID
PubChem	44630492

M. W.

262.08216

CAS

14024-64-7

Similarity

N/A

ID: 146467

2-benzyloxirane

$$$$ Data

M. F.

C9H10O

Suppliers	Catalog Number
Sigma Aldrich	332070
Enamine	EN300-119884

Database	Data ID
PubChem	94826

M. W.

134.1751

CAS

4436-24-2

Similarity

N/A

ID: 146468

trifluoroiron trihydrate

$$$$ Data

M. F.

F3FeH6O3

Suppliers	Catalog Number
Sigma Aldrich	334499

Database	Data ID
PubChem	44890702

M. W.

166.8860496

CAS

15469-38-2

Similarity

N/A

ID: 146469

2-bromo-1-(pyren-1-yl)ethan-1-one

$$$$ Data

M. F.

C18H11BrO

Suppliers	Catalog Number
Sigma Aldrich	394408
Bide Pharmatech	BD51644

Database	Data ID
PubChem	133483

M. W.

323.18334

CAS

80480-15-5

Similarity

N/A

ID: 146470

2-tetradecyloxirane

$$$$ Data

M. F.

C16H32O

Suppliers	Catalog Number
Sigma Aldrich	260215

Database	Data ID
PubChem	23741

M. W.

240.42468

CAS

7320-37-8

Similarity

N/A

ID: 146471

[(1Z)-2-phenylprop-1-en-1-yl]benzene

$$$$ Data

M. F.

C15H14

Suppliers	Catalog Number
Sigma Aldrich	273406

Database	Data ID
PubChem	1224115

M. W.

194.27166

CAS

833-81-8

Similarity

N/A

ID: 146472

tetrakis(triphenyl phosphite) nickel

$$$$ Data

M. F.

C72H60NiO12P4

Suppliers	Catalog Number
Sigma Aldrich	288063

Database	Data ID
PubChem	11979965

M. W.

1299.828044

CAS

14221-00-2

Similarity

N/A

ID: 146473

oxo[(oxolutetio)oxy]lutetium

$$$$ Data

M. F.

Lu2O3

Suppliers	Catalog Number
Sigma Aldrich	203661 289191
Alfa Aesar	36244 11256 10912 (more...)

Database	Data ID
PubChem	4323797

M. W.

397.9318

CAS

12032-20-1

Similarity

N/A

ID: 146474

2-ethylhexyl nitrate

$$$$ Data

M. F.

C8H17NO3

Suppliers	Catalog Number
Sigma Aldrich	293784

Database	Data ID
PubChem	62823

M. W.

175.22548

CAS

27247-96-7

Similarity

N/A

ID: 146475

1,7-phenanthroline

$$$$ Data

M. F.

C12H8N2

Suppliers	Catalog Number
Sigma Aldrich	301841
Alfa Aesar	30909

Database	Data ID
PubChem	67473

M. W.

180.20532

CAS

230-46-6

Similarity

N/A

ID: 146476

bariumdiol

$$$$ Data

M. F.

BaH2O2

Suppliers	Catalog Number
Sigma Aldrich	B4059 433373 35050

Database	Data ID
PubChem	28387

M. W.

171.34168

CAS

17194-00-2

Similarity

N/A

ID: 146477

tert-butyl N-(6-aminohexyl)carbamate hydrochloride

$$$$ Data

M. F.

C11H25ClN2O2

Suppliers	Catalog Number
Sigma Aldrich	437018 15392

Database	Data ID
PubChem	3017638

M. W.

252.7814

CAS

65915-94-8

Similarity

N/A

ID: 146478

4-(2-chloroacetamido)benzoic acid

$$$$ Data

M. F.

C9H8ClNO3

Suppliers	Catalog Number
Sigma Aldrich	440663
Enamine	EN300-00147

Database	Data ID
PubChem	225446

M. W.

213.61772

CAS

4596-39-8

Similarity

N/A

ID: 146479

bis[(2-ethylhexanoyl)oxy]cerio 2-ethylhexanoate

$$$$ Data

M. F.

C24H45CeO6

Suppliers	Catalog Number
Sigma Aldrich	445576

Database	Data ID
PubChem	71311217

M. W.

569.7265

CAS

56797-01-4

Similarity

N/A

ID: 146480

bis(1S,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl butanedioate

$$$$ Data

M. F.

C24H42O4

Suppliers	Catalog Number
Sigma Aldrich	306347

Database	Data ID
PubChem	11188597

M. W.

394.58788

CAS

96149-05-2

Similarity

N/A

ID: 146481

methyl (2S)-2-amino-2-phenylacetate hydrochloride

$$$$ Data

M. F.

C9H12ClNO2

Suppliers	Catalog Number
Sigma Aldrich	308676
Bide Pharmatech	BD6838

Database	Data ID
PubChem	11217910

M. W.

201.65008

CAS

15028-39-4

Similarity

N/A

ID: 146482

indium(3+) ion hydrate trinitrate

$$$$ Data

M. F.

H2InN3O10

Suppliers	Catalog Number
Sigma Aldrich	57135 326127 326135 (more...)
Alfa Aesar	10708 40185

Database	Data ID
PubChem	3084148

M. W.

318.84798

CAS

207398-97-8

Similarity

N/A

ID: 146483

$$$$ Data

M. F.

C11H20IN2O2

Suppliers	Catalog Number
Sigma Aldrich	253367

Database	Data ID
PubChem	2724305

M. W.

339.19317

CAS

25713-24-0

Similarity

N/A

ID: 146484

bromotributylstannane

$$$$ Data

M. F.

C12H27BrSn

Suppliers	Catalog Number
Sigma Aldrich	257893

Database	Data ID
PubChem	305767

M. W.

369.94778

CAS

1461-23-0

Similarity

N/A

ID: 146485

2-dodecyloxirane

$$$$ Data

M. F.

C14H28O

Suppliers	Catalog Number
Sigma Aldrich	260266
Alfa Aesar	L07038

Database	Data ID
PubChem	18604

M. W.

212.37152

CAS

3234-28-4

Similarity

N/A

ID: 146486

N-[2-(diethylamino)ethyl]-4-acetamidobenzamide

$$$$ Data

M. F.

C15H23N3O2

Suppliers	Catalog Number
Sigma Aldrich	269476

Database	Data ID
PubChem	4342

M. W.

277.36202

CAS

32795-44-1

Similarity

N/A

ID: 146487

O-ethylhydroxylamine hydrochloride

$$$$ Data

M. F.

C2H8ClNO

Suppliers	Catalog Number
Sigma Aldrich	274992 04133
Bide Pharmatech	BD127704
A&J Pharmtech	AJA-O9401

Database	Data ID
PubChem	76850

M. W.

97.54402

CAS

3332-29-4

Similarity

N/A

ID: 146488

(1S,2S,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol

$$$$ Data

M. F.

C10H18O2

Suppliers	Catalog Number
Sigma Aldrich	282367 80596

Database	Data ID
PubChem	10219606

M. W.

170.24872

CAS

18680-27-8

Similarity

N/A

ID: 146489

bis(2-(pyridin-2-yl)pyridine) dichlororuthenium hydrate

$$$$ Data

M. F.

C20H18Cl2N4ORu

Suppliers	Catalog Number
Sigma Aldrich	288128

Database	Data ID
PubChem	16211844

M. W.

502.35912

CAS

98014-14-3

Similarity

N/A

ID: 146490

(2R,3R,4R,5S)-1,2,4,5,6-pentakis(acetyloxy)hexan-3-yl acetate

$$$$ Data

M. F.

C18H26O12

Suppliers	Catalog Number
Sigma Aldrich	146080

Database	Data ID
PubChem	9802952

M. W.

434.39184

CAS

7208-47-1

Similarity

N/A

ID: 146491

(4-nitrophenoxy)phosphonoyl dichloride

$$$$ Data

M. F.

C6H4Cl2NO4P

Suppliers	Catalog Number
Sigma Aldrich	155403
Bide Pharmatech	BD227494

Database	Data ID
PubChem	69898

M. W.

255.980021

CAS

777-52-6

Similarity

N/A

ID: 146492

lithium(1+) ion (1s,5s)-9-borabicyclo[3.3.1]nonan-9-uide

$$$$ Data

M. F.

C8H15BLi

Suppliers	Catalog Number
Sigma Aldrich	344230

Database	Data ID
PubChem	11105381

M. W.

128.9567

CAS

76448-08-3

Similarity

N/A

ID: 146493

(4S)-3-(but-2-enoyl)-4-(propan-2-yl)-1,3-oxazolidin-2-one

$$$$ Data

M. F.

C10H15NO3

Suppliers	Catalog Number
Sigma Aldrich	349011

Database	Data ID
PubChem	5702601

M. W.

197.231

CAS

90719-29-2

Similarity

N/A

ID: 146494

iridium platinum

$$$$ Data

M. F.

IrPt

Suppliers	Catalog Number
Sigma Aldrich	357383
Alfa Aesar	43275 43019 10054 (more...)

Database	Data ID
PubChem	3082457

M. W.

387.295

CAS

Similarity

N/A

ID: 146495

1,3-dichloro-5-sodio-1,3,5-triazinane-2,4,6-trione

$$$$ Data

M. F.

C3Cl2N3NaO3

Suppliers	Catalog Number
Sigma Aldrich	218928

Database	Data ID
PubChem	517121

M. W.

219.94617

CAS

2893-78-9

Similarity

N/A

ID: 146496

chloro(hydrido)zirconiumiumylium; bis(cyclopenta-2,4-dien-1-ide)

$$$$

M. F.

C10H10ClZr

Suppliers	Catalog Number
Sigma Aldrich	223670 96605

Database

Data ID

M. W.

256.8634

CAS

37342-97-5

Similarity

N/A

ID: 146497

trichlorochromium hydrate

$$$$ Data

M. F.

Cl3CrH2O

Suppliers	Catalog Number
Sigma Aldrich	229571

Database	Data ID
PubChem	16211596

M. W.

176.37038

CAS

85017-78-3

Similarity

N/A

ID: 146498

1-chlorotetradecane

$$$$ Data

M. F.

C14H29Cl

Suppliers	Catalog Number
Sigma Aldrich	252239
Bide Pharmatech	BD57946

Database	Data ID
PubChem	17043

M. W.

232.83306

CAS

2425-54-9

Similarity

N/A

ID: 146499

N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydr...

$$$$ Data

M. F.

C16H17N3O6

Suppliers	Catalog Number
Sigma Aldrich	326151

Database	Data ID
PubChem	10066259

M. W.

347.32268

CAS

13089-48-0

Similarity

N/A

ID: 146500

4-{[(2S,3S)-3-propyloxiran-2-yl]methoxy}phenyl 4-(decyloxy)benzoate

$$$$ Data

M. F.

C29H40O5

Suppliers	Catalog Number
Sigma Aldrich	328537

Database	Data ID
PubChem	14047308

M. W.

468.6249

CAS

107133-34-6

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