Chembase list of 866358 unique molecular structures

(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanoic acid

$$$$ Data

M. F.

C14H19NO4

Suppliers	Catalog Number
Sigma Aldrich	C2502 521221 96710
Alfa Aesar	L08471
Bide Pharmatech	BD19987

Database	Data ID
PubChem	74840

M. W.

265.30496

CAS

28862-79-5

Similarity

N/A

ID: 148452

tris(methanidylidyneoxidanium) chromium ethyl benzoate

$$$$ Data

M. F.

C12H10CrO5

Suppliers	Catalog Number
Sigma Aldrich	526738
Alfa Aesar	44283

Database	Data ID
PubChem	13222494

M. W.

286.2009

CAS

32874-26-3

Similarity

N/A

ID: 148453

5-(isocyanatomethyl)-1,2,3-trimethoxybenzene

$$$$ Data

M. F.

C11H13NO4

Suppliers	Catalog Number
Sigma Aldrich	535036

Database	Data ID
PubChem	5188691

M. W.

223.22522

CAS

351003-01-5

Similarity

N/A

ID: 148454

5-aminopyridine-2-carbonitrile

$$$$ Data More

M. F.

C6H5N3

Suppliers	Catalog Number
Sigma Aldrich	538906
Alfa Aesar	H28960
Bide Pharmatech	BD3408

Database	Data ID
PubChem	3871395

M. W.

119.124

CAS

55338-73-3

Similarity

N/A

ID: 148455

(1S)-1,2,2-triphenylethan-1-amine

$$$$ Data

M. F.

C20H19N

Suppliers	Catalog Number
Sigma Aldrich	553220

Database	Data ID
PubChem	16217121

M. W.

273.37156

CAS

352535-04-7

Similarity

N/A

ID: 148456

1,4-bis(ethenyloxy)butane

$$$$ Data

M. F.

C8H14O2

Suppliers	Catalog Number
Sigma Aldrich	123315

Database	Data ID
PubChem	77501

M. W.

142.19556

CAS

3891-33-6

Similarity

N/A

ID: 148457

1,2,4-trimethyl-5-nitrobenzene

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Sigma Aldrich	137898

Database	Data ID
PubChem	69130

M. W.

165.18914

CAS

610-91-3

Similarity

N/A

ID: 148458

(3R,5S,7s)-1-isothiocyanatoadamantane

$$$$ Data

M. F.

C11H15NS

Suppliers	Catalog Number
Sigma Aldrich	143367

Database	Data ID
PubChem	107279

M. W.

193.3085

CAS

4411-26-1

Similarity

N/A

ID: 148459

2-(cyclopent-2-en-1-yl)acetic acid

$$$$ Data

M. F.

C7H10O2

Suppliers	Catalog Number
Sigma Aldrich	C112852
Alfa Aesar	H27507
Enamine	EN300-21654

Database	Data ID
PubChem	96216

M. W.

126.1531

CAS

13668-61-6

Similarity

N/A

ID: 148460

4-(2-{4-[(2-methylprop-2-enoyl)oxy]phenyl}propan-2-yl)phenyl 2-methylprop-2-enoa...

$$$$ Data

M. F.

C23H24O4

Suppliers	Catalog Number
Sigma Aldrich	156329

Database	Data ID
PubChem	76739

M. W.

364.43426

CAS

3253-39-2

Similarity

N/A

ID: 148461

2-(naphthalen-2-yl)acetonitrile

$$$$ Data

M. F.

C12H9N

Suppliers	Catalog Number
Sigma Aldrich	162760
Alfa Aesar	L09384

Database	Data ID
PubChem	82008

M. W.

167.20656

CAS

7498-57-9

Similarity

N/A

ID: 148462

(2R,3S)-2,3-dimethylbutanedioic acid

$$$$ Data

M. F.

C6H10O4

Suppliers	Catalog Number
Sigma Aldrich	168017

Database	Data ID
PubChem	6950212

M. W.

146.1412

CAS

608-40-2

Similarity

N/A

ID: 148463

(1R,2R)-2-methylcyclopentan-1-ol

$$$$ Data

M. F.

C6H12O

Suppliers	Catalog Number
Sigma Aldrich	179078

Database	Data ID
PubChem	32804

M. W.

100.15888

CAS

25144-04-1

Similarity

N/A

ID: 148464

1,2-dibromoethene

$$$$ Data

M. F.

C2H2Br2

Suppliers	Catalog Number
Sigma Aldrich	D40809 33910

Database	Data ID
PubChem	637929

M. W.

185.84528

CAS

540-49-8

Similarity

N/A

ID: 148465

pentadecane-1-thiol

$$$$ Data

M. F.

C15H32S

Suppliers	Catalog Number
Sigma Aldrich	516295

Database	Data ID
PubChem	91373

M. W.

244.47958

CAS

25276-70-4

Similarity

N/A

ID: 148466

aluminium(3+) ion caesium(1+) ion dodecahydrate disulfate

$$$$ Data

M. F.

AlCsH27O20S2

Suppliers	Catalog Number
Sigma Aldrich	517771

Database	Data ID
PubChem	20350998

M. W.

571.219368

CAS

7784-17-0

Similarity

N/A

ID: 148467

bis(3-propylcyclopenta-2,4-dien-1-ide); dimolybdenumbis(ylium); hexakis(methanid...

$$$$ Data

M. F.

C22H22Mo2O6

Suppliers	Catalog Number
Sigma Aldrich	524166

Database	Data ID
PubChem	71311340

M. W.

574.32648

CAS

105046-05-7

Similarity

N/A

ID: 148468

2-chloro-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C8H4ClNO2

Suppliers	Catalog Number
Sigma Aldrich	528218
Bide Pharmatech	BD105864
A&J Pharmtech	AJA-O5748

Database	Data ID
PubChem	18997

M. W.

181.57586

CAS

3481-09-2

Similarity

N/A

ID: 148469

bis(4-tert-butylphenyl)iodanium trifluoromethanesulfonate

$$$$ Data

M. F.

C21H26F3IO3S

Suppliers	Catalog Number
Sigma Aldrich	530999

Database	Data ID
PubChem	2734848

M. W.

542.3940196

CAS

84563-54-2

Similarity

N/A

ID: 148470

pyrene-1-carboxylic acid

$$$$ Data

M. F.

C17H10O2

Suppliers	Catalog Number
Sigma Aldrich	391581

Database	Data ID
PubChem	125395

M. W.

246.2601

CAS

19694-02-1

Similarity

N/A

ID: 148471

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

$$$$ Data

M. F.

C10H14O4Pb

Suppliers	Catalog Number
Sigma Aldrich	401684

Database	Data ID
PubChem	53393517

M. W.

405.41576

CAS

15282-88-9

Similarity

N/A

ID: 148472

methyl 2-(2-nitro-1H-imidazol-1-yl)acetate

$$$$ Data

M. F.

C6H7N3O4

Suppliers	Catalog Number
Sigma Aldrich	408026

Database	Data ID
PubChem	89851

M. W.

185.13748

CAS

22813-31-6

Similarity

N/A

ID: 148473

trimethyl[(2-methylprop-1-en-1-yl)oxy]silane

$$$$ Data

M. F.

C7H16OSi

Suppliers	Catalog Number
Sigma Aldrich	409235

Database	Data ID
PubChem	99685

M. W.

144.28684

CAS

6651-34-9

Similarity

N/A

ID: 148474

methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoate

$$$$ Data

M. F.

C9H17NO5

Suppliers	Catalog Number
Sigma Aldrich	410489 15183
Bide Pharmatech	BD19909

Database	Data ID
PubChem	7019177

M. W.

219.23498

CAS

2766-43-0

Similarity

N/A

ID: 148475

thulium(3+) ion tritrifluoromethanesulfonate

$$$$ Data

M. F.

C3F9O9S3Tm

Suppliers	Catalog Number
Sigma Aldrich	425737
Alfa Aesar	40313

Database	Data ID
PubChem	2733936

M. W.

616.1415388

CAS

141478-68-4

Similarity

N/A

ID: 148476

1-bromopent-2-yne

$$$$ Data

M. F.

C5H7Br

Suppliers	Catalog Number
Sigma Aldrich	429538
TRC	B686340

Database	Data ID
PubChem	85399

M. W.

147.01308

CAS

16400-32-1

Similarity

N/A

ID: 148477

dicyclohexyl[3-(dicyclohexylphosphanyl)propyl]phosphane

$$$$ Data

M. F.

C27H50P2

Suppliers	Catalog Number
Sigma Aldrich	440418

Database	Data ID
PubChem	438876

M. W.

436.633422

CAS

103099-52-1

Similarity

N/A

ID: 148478

trichlororhodium hydrate

$$$$ Data

M. F.

Cl3H2ORh

Suppliers	Catalog Number
Sigma Aldrich	450286 206261 520772

Database	Data ID
PubChem	16211510

M. W.

227.27978

CAS

20765-98-4

Similarity

N/A

ID: 148479

benzyl N-(1H-pyrazole-1-carboximidoyl)carbamate

$$$$ Data

M. F.

C12H12N4O2

Suppliers	Catalog Number
Sigma Aldrich	452661
Alfa Aesar	H54782

Database	Data ID
PubChem	11857377

M. W.

244.24928

CAS

152120-62-2

Similarity

N/A

ID: 148480

[3-(aminomethyl)phenyl]methanamine; prop-2-enenitrile

$$$$ Data

M. F.

C11H15N3

Suppliers	Catalog Number
Sigma Aldrich	456950

Database	Data ID
PubChem	71311341

M. W.

189.2569

CAS

73050-11-0

Similarity

N/A

ID: 148481

2-methyl-1-{6-[2-methyl-2-(morpholin-4-yl)propanoyl]-9-octyl-9H-carbazol-3-yl}-2...

$$$$ Data

M. F.

C36H51N3O4

Suppliers	Catalog Number
Sigma Aldrich	460737

Database	Data ID
PubChem	4175151

M. W.

589.80784

CAS

104005-37-0

Similarity

N/A

ID: 148482

(2S)-2-bromo-3-methylbutanoic acid

$$$$ Data

M. F.

C5H9BrO2

Suppliers	Catalog Number
Sigma Aldrich	462101

Database	Data ID
PubChem	179487

M. W.

181.02776

CAS

26782-75-2

Similarity

N/A

ID: 148483

tris(propan-2-yl) stiborite

$$$$ Data

M. F.

C9H21O3Sb

Suppliers	Catalog Number
Sigma Aldrich	470732

Database	Data ID
PubChem	16685151

M. W.

299.02124

CAS

18770-47-3

Similarity

N/A

ID: 148484

3-isocyanatobenzoyl chloride

$$$$ Data

M. F.

C8H4ClNO2

Suppliers	Catalog Number
Sigma Aldrich	478504
Alfa Aesar	L16002

Database	Data ID
PubChem	5214895

M. W.

181.57586

CAS

5180-79-0

Similarity

N/A

ID: 148485

4-{2-[(2-methylprop-2-enoyl)oxy]ethoxy}-4-oxobut-2-enoic acid

$$$$ Data

M. F.

C10H12O6

Suppliers	Catalog Number
Sigma Aldrich	483729
Bide Pharmatech	BD140289

Database	Data ID
PubChem	6027111

M. W.

228.19868

CAS

51978-15-5

Similarity

N/A

ID: 148486

1-methyl(²H₅)benzene

$$$$ Data

M. F.

C7H8

Suppliers	Catalog Number
Sigma Aldrich	486213

Database	Data ID
PubChem	11815823

M. W.

92.13842

CAS

1603-99-2

Similarity

N/A

ID: 148487

1-iodo-2-isocyanatobenzene

$$$$ Data

M. F.

C7H4INO

Suppliers	Catalog Number
Sigma Aldrich	487325

Database	Data ID
PubChem	2733385

M. W.

245.01723

CAS

128255-31-2

Similarity

N/A

ID: 148488

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}(1,2-¹³C_2<...

$$$$ Data

M. F.

C17H15NO4

Suppliers	Catalog Number
Sigma Aldrich	489530

Database	Data ID
PubChem	16213440

M. W.

300.28401857

CAS

285978-13-4

Similarity

N/A

ID: 148489

(²H₅)propan(²H)oic acid

$$$$ Data

M. F.

C3H6O2

Suppliers	Catalog Number
Sigma Aldrich	490644

Database	Data ID
PubChem	2724450

M. W.

74.07854

CAS

19448-61-4

Similarity

N/A

ID: 148490

(2-²H)prop-2-enenitrile

$$$$ Data

M. F.

C3H3N

Suppliers	Catalog Number
Sigma Aldrich	491756

Database	Data ID
PubChem	12196255

M. W.

53.06262

CAS

4635-82-9

Similarity

N/A

ID: 148491

3-(acetyloxy)-2-methylbenzoic acid

$$$$ Data More

M. F.

C10H10O4

Suppliers	Catalog Number
Sigma Aldrich	495255
Alfa Aesar	L18719
TRC	A166960

Database	Data ID
PubChem	3798557

M. W.

194.184

CAS

168899-58-9

Similarity

N/A

ID: 148492

7-(bromozincio)heptanenitrile

$$$$ Data

M. F.

C7H12BrNZn

Suppliers	Catalog Number
Sigma Aldrich	497924

Database	Data ID
PubChem	5240475

M. W.

255.46088

CAS

312624-28-5

Similarity

N/A

ID: 148493

diaminopyrimidine-2,4-dithiol

$$$$ Data

M. F.

C4H6N4S2

Suppliers	Catalog Number
Sigma Aldrich	D15405

Database	Data ID
PubChem	1268115

M. W.

174.24724

CAS

31295-41-7

Similarity

N/A

ID: 148494

1-ethyl-4-[3-(1-ethyl-1,4-dihydroquinolin-4-ylidene)prop-1-en-1-yl]quinolin-1-iu...

$$$$ Data

M. F.

C25H25IN2

Suppliers	Catalog Number
Sigma Aldrich	D91535

Database	Data ID
PubChem	5351156

M. W.

480.38387

CAS

4727-50-8

Similarity

N/A

ID: 148495

(3aR,7aS)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C8H9NO2

Suppliers	Catalog Number
Sigma Aldrich	T14206 MET260A
Bide Pharmatech	BD121464

Database	Data ID
PubChem	92888

M. W.

151.16256

CAS

1469-48-3

Similarity

N/A

ID: 148496

9-oxabicyclo[6.1.0]non-4-ene

$$$$ Data

M. F.

C8H12O

Suppliers	Catalog Number
Sigma Aldrich	471984

Database	Data ID
PubChem	5356565

M. W.

124.18028

CAS

637-90-1

Similarity

N/A

ID: 148497

2-(2H-1,3,2-benzodioxaborol-2-yl)-2H-1,3,2-benzodioxaborole

$$$$ Data

M. F.

C12H8B2O4

Suppliers	Catalog Number
Sigma Aldrich	473286
Bide Pharmatech	BD13737

Database	Data ID
PubChem	3488065

M. W.

237.81152

CAS

13826-27-2

Similarity

N/A

ID: 148498

(2R)-2-(oct-7-en-1-yl)oxirane

$$$$ Data

M. F.

C10H18O

Suppliers	Catalog Number
Sigma Aldrich	477281

Database	Data ID
PubChem	7018005

M. W.

154.24932

CAS

137310-67-9

Similarity

N/A

ID: 148499

sodium 2-oxo(2,3-¹³C₂)propanoate

$$$$ Data

M. F.

C3H3NaO3

Suppliers	Catalog Number
Sigma Aldrich	486191

Database	Data ID
PubChem	16213269

M. W.

112.02919968

CAS

89196-78-1

Similarity

N/A

ID: 148500

1-fluoro-4-(isocyanatomethyl)benzene

$$$$ Data

M. F.

C8H6FNO

Suppliers	Catalog Number
Sigma Aldrich	487309

Database	Data ID
PubChem	2733376

M. W.

151.1377432

CAS

132740-43-3

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