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• 3-p-tolylisoxazol-5-ol
IUPAC Name: 3-(4-methylphenyl)-2H-1,2-oxazol-5-one | CAS Registry Number: 346598-97-8
Synonyms: 3-(p-Tolyl)isoxazol-5-ol, SCHEMBL1716409, SCHEMBL11323832, MolPort-020-169-698, SHOIOSMHDCMLIJ-UHFFFAOYSA-N, 3-(4-methylphenyl)isoxazol-5-ol, MFCD01895851, ZINC32220225, AKOS027428679, 3-(4-Methylphenyl)-1,2-oxazol-5-ol, AK484548

Molecular Formula: C10H9NO2Molecular Weight: 175.187 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RXPLCRJIGCYJDE-UHFFFAOYSA-N

• 1,3,4-Thiadiazole-2(3H)-thione, 5-[(2,4-dichlorophenoxy)methyl]-
IUPAC Name: 5-[(2,4-dichlorophenoxy)methyl]-3H-1,3,4-thiadiazole-2-thione | CAS Registry Number: 67365-93-9
Synonyms: 5-[(2,4-dichlorophenoxy)methyl]-1,3,4-thiadiazole-2-thiol, 5-((2,4-Dichlorophenoxy)methyl)-1,3,4-thiadiazole-2-thiol, AC1NRSNW, MolPort-002-736-238, ALBB-014404, ZINC4726231, ZX-AN013130, MFCD06015863, STK328856, AKOS005174323, MCULE-6543760802, AK421423, ST4119106, R9006, ST45107758, 5-(2,4-dichlorophenoxymethyl)-1,3,4-thiadiazole-2-thiol, A3841/0163124, 1,3,4-thiadiazole-2-thiol, 5-[(2,4-dichlorophenoxy)methyl]-, 5-[(2,4-dichlorophenoxy)methyl]-3H-1,3,4-thiadiazole-2-thione

Molecular Formula: C9H6Cl2N2OS2Molecular Weight: 293.180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZEVRVGVDJKPWFO-UHFFFAOYSA-N

• 7-benzyl-5,6,7,8-tetrahydro-3h-pyrido[3,4-d]pyrimidin-4-one Hydrochloride
IUPAC Name: 7-benzyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one | CAS Registry Number: 62458-96-2
Synonyms: 7-BENZYL-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE, AG-G-29359, 7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ol, 7-Benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one, PubChem14674, SureCN1550311, SureCN4079977, CTK5B5125, MolPort-005-936-524, MolPort-009-200-041, ANW-48549, FD7042, ZINC21987931, AKOS015855722, LS40864, RP07748, AK-27557, BR-27557, KB-46085, KB-46087

Molecular Formula: C14H15N3OMolecular Weight: 241.288400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NBOPLUXBZUJFHI-UHFFFAOYSA-N

• 2H-1-Benzopyran-4-acetic acid, 3,4-dihydro-
IUPAC Name: 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid | CAS Registry Number: 5655-26-5
Synonyms: SureCN8143471, AGN-PC-000P1E, 2-(chroman-4-yl)acetic acid, MolPort-006-022-405, AKOS009219521, EN300-80203, 2-(3,4-dihydro-2H-1-benzopyran-4-yl)acetic acid, 2-(3,4-DIHYDRO-2H-CHROMEN-4-YL)ACETIC ACID

Molecular Formula: C11H12O3Molecular Weight: 192.211180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BEALYTAVZUJEOO-UHFFFAOYSA-N

• 2-Chloro-benzoimidazole-1-carboxylic acid tert-butyl ester
IUPAC Name: tert-butyl 2-chlorobenzimidazole-1-carboxylate | CAS Registry Number: 214147-60-1
Synonyms: tert-Butyl 2-chloro-1H-benzo[d]imidazole-1-carboxylate, SCHEMBL4698252, MolPort-023-284-554, NSCSJISDXDCCGL-UHFFFAOYSA-N, AKOS024463278, AK160486, KB-22808, 1-t-butyloxycarbonyl-2-chlorobenzimidazole, AJ-123088, ST24049670, tert-butyl 2-chloro-1H-benzimidazole-1-carboxylate, tert-butyl 2-chloro-1H-1,3-benzimidazole-1-carboxylate, 2-Chlorobenzoimidazole-1-carboxylic acid tert-butyl ester

Molecular Formula: C12H13ClN2O2Molecular Weight: 252.696820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NSCSJISDXDCCGL-UHFFFAOYSA-N

• 6-FLUORO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
IUPAC Name: 6-fluoro-3,4-dihydro-2H-isoquinolin-1-one | CAS Registry Number: 214045-84-8
Synonyms: 6-fluoro-3,4-dihydro-2H-isoquinolin-1-one, 6-FLUORO-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE, 6-Fluoro-3,4-dihydroisoquinolin-1(2H)-one, SureCN794160, CTK4E6667, MolPort-021-783-050, ACN-S001677, ACT09234, AKOS006292932, AB19126, AG-E-56768, AK114084, AB1004780, KB-248709, 1(2H)-Isoquinolinone,6-fluoro-3,4-dihydro-, A-2582, 6-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-1-ONE, 6-Fluoro-3,4-dihydro-2H-isoquinolin-1-one; 6-Fluoro-3,4-dihydroisoquinolin-1(2H)-one, 6-Fluoro-3,4-dihydro-2H-isoquinolin-1-one;6-Fluoro-3,4-dihydroisoquinolin-1(2H)-one

Molecular Formula: C9H8FNOMolecular Weight: 165.164323 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QAYARJVVFMRVQJ-UHFFFAOYSA-N

• 2-Amino-5-(4-nitrophenyl)-1,3,4-thiadiazole
IUPAC Name: 5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine | CAS Registry Number: 833-63-6
Synonyms: Oprea1_490564, Oprea1_510295, 576018_ALDRICH, NSC 83129, NSC83129, BRN 0212376, SBB010094, ZINC00097210, 1,3,4-Thiadiazole, 2-amino-5-(p-nitrophenyl)-, BAS 00599021, 2-Amino-5-(p-nitrophenyl)-1,3,4-thiadiazole, L 1470, 2-Amino-5-p-nitrofenil-1,3,4-tiadiazolo, LS-150252, 2-Amino-5-p-nitrofenil-1,3,4-tiadiazolo [Italian], 4-27-00-08116 (Beilstein Handbook Reference), 5-(4-Nitro-phenyl)-[1,3,4]thiadiazol-2-ylamine

Molecular Formula: C8H6N4O2SMolecular Weight: 222.223840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: XAPNDVNSXWXPJS-UHFFFAOYSA-N

• 8-Bromo-4-(2-hydroxy-ethyl)-5-methoxy-1H-quinolin-2-one
IUPAC Name: 8-bromo-4-(2-hydroxyethyl)-5-methoxy-1H-quinolin-2-one | CAS Registry Number: 1155270-68-0
Synonyms: SureCN137119, KB-250266, 8-bromo-4-(2-hydroxyethyl)-5-methoxyquinolin-2(1h)-one

Molecular Formula: C12H12BrNO3Molecular Weight: 298.132580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZMPHTSPMQRXDRE-UHFFFAOYSA-N

• 3-Ethyl-7-hydroxy-chromen-2-one
IUPAC Name: 3-ethyl-7-hydroxychromen-2-one | CAS Registry Number: 43217-19-2
Synonyms: SCHEMBL220708, 3-ethyl-7-hydroxy-chromen-2-one, AKOS023883315

Molecular Formula: C11H10O3Molecular Weight: 190.195300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GZYCXZFNSPIPGH-UHFFFAOYSA-N

• 2,2-DIMETHYLCHROMANE
IUPAC Name: 2,2-dimethyl-3,4-dihydrochromene | CAS Registry Number: 1198-96-5
Synonyms: 2,2-Dimethylchroman, Chroman, 2,2-dimethyl-, NCIOpen2_000173, NSC63863, MolPort-001-764-280, 2H-1-Benzopyran, 3,4-dihydro-2,2-dimethyl-, CID136936, ZINC01691696, EN300-52303

Molecular Formula: C11H14OMolecular Weight: 162.228260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MITIYLBEZOKYLX-UHFFFAOYSA-N

• 2-Amino-5-(4-methoxyphenyl)-1,3,4-thiadiazole
IUPAC Name: 5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine | CAS Registry Number: 1014-25-1
Synonyms: CBMicro_017356, Oprea1_416520, Oprea1_560317, MLS000105965, DivK1c_004892, 576026_ALDRICH, ALBB-002005, CDS1_003852, CID692882, SBB000467, ZINC00064572, BAS 00599036, SMR000102939, BIM-0017557.P001, 5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine, 5-(4-Methoxy-phenyl)-[1,3,4]thiadiazol-2-ylamine

Molecular Formula: C9H9N3OSMolecular Weight: 207.252260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UJBCFMCQLVRXBQ-UHFFFAOYSA-N

• 1-Azaindolizine
IUPAC Name: imidazo[1,2-a]pyridine | CAS Registry Number: 274-76-0
Synonyms: Imidazo[1,2-a]pyridine, Imidazo(1,2-a)pyridine, 275778_ALDRICH, ZINC00409233, CID78960

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UTCSSFWDNNEEBH-UHFFFAOYSA-N

• 6-tert-Butyl-3,4-dihydro-2H-isoquinolin-1-one
IUPAC Name: 6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one | CAS Registry Number: 1178884-68-8
Synonyms: SCHEMBL1432009, KVSRTYBIFKWHND-UHFFFAOYSA-N, AKOS022534696, KB-270229, 6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one, 6-tert-butyl-3,4-dihydroisoquinolin-1(2h)-one

Molecular Formula: C13H17NOMolecular Weight: 203.280180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KVSRTYBIFKWHND-UHFFFAOYSA-N

• 4-Phenyl-1,3-Thiazole
IUPAC Name: 4-phenyl-1,3-thiazole | CAS Registry Number: 1826-12-6
Synonyms: 4-Phenylthiazole, 4-Phenyl-thiazole, THIAZOLE, 4-PHENYL-, 4-Phenyl-1,3-thiazole, BRN 0114779, CID74581, ZINC00374326, BAS 00114078, LS-151035, 4-27-00-01142 (Beilstein Handbook Reference), I09-0048

Molecular Formula: C9H7NSMolecular Weight: 161.223580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KXCQDIWJQBSUJF-UHFFFAOYSA-N

• 3-Bromo-1H-1,2,4-triazole
IUPAC Name: 5-bromo-1H-1,2,4-triazole | CAS Registry Number: 7343-33-1
Synonyms: s-Triazole, 3-bromo-, 1H-1,2,4-Triazole, 3-bromo-, 5-bromo-1H-1,2,4-triazole, ZINC04110408, ALBB-010057, CID139000, MS-3704, AG-670/31549023

Molecular Formula: C2H2BrN3Molecular Weight: 147.961380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HHIZISRHAQPAMY-UHFFFAOYSA-N

• 2(3H)-Benzoxazolethione, 4-fluoro-
IUPAC Name: 4-fluoro-3H-1,3-benzoxazole-2-thione | CAS Registry Number: 1163123-40-7
Synonyms: 4-Fluorobenzo[d]oxazole-2-thiol, 4-fluoro-benzooxazole-2-thiol, SCHEMBL3656154, CSVJHSAMTMYAIQ-UHFFFAOYSA-N, MolPort-029-078-018, 4-fluoro-1,3-benzoxazole-2-thiol, MFCD28559086, STL451605, ZINC79065387, AKOS024124107, AKOS027348997, 4-Fluorobenzo[d]oxazole-2(3H)-thione, MCULE-3569554645, AK337505, AK353167

Molecular Formula: C7H4FNOSMolecular Weight: 169.173 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CSVJHSAMTMYAIQ-UHFFFAOYSA-N

• 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid
IUPAC Name: 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid | CAS Registry Number: 479553-01-0
Synonyms: 7-AZAINDOLE-4-CARBOXYLIC ACID, AG-F-63279, AC1Q72OG, AC1Q72OH, SureCN1456822, CTK3J7727, MolPort-005-957-066, ANW-45315, AKOS006286252, MCULE-2976519303, PB26351, QC-3451, RP09281, AK-27958, KB-12581, AB1011628, FT-0650544, W6464, A-6487, A827405

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HPPPHDPVSYYWCH-UHFFFAOYSA-N

• 5-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-tetrazole (CAS: 775351-37-6)
• 6-Benzothiazolecarboxylic Acid, 2-Chloro-
IUPAC Name: 2-chloro-1,3-benzothiazole-6-carboxylic acid | CAS Registry Number: 3855-95-6
Synonyms: 2-Chloro-6-benzothiazolecarboxylic acid, 2-chlorobenzo[d]thiazole-6-carboxylic acid, 2-chlorobenzothiazole-6-carboxylic acid, 2-Chloro-1,3-benzothiazole-6-carboxylic acid, SureCN1036069, AGN-PC-01X87Z, chlorobenzothiazolecarboxylicacid, CTK1C1868, MolPort-001-757-531, ACT07782, ANW-51735, SBB094856, AKOS005072780, AG-L-25409, FA-0926, MCULE-1677365297, RP12396, 6-Benzothiazolecarboxylicacid, 2-chloro-, AK-23626, BR-23626

Molecular Formula: C8H4ClNO2SMolecular Weight: 213.640860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QLAKWSXVXQRGDB-UHFFFAOYSA-N

• 1,3,4-Thiadiazole-2(3H)-thione, 5-ethyl-
IUPAC Name: 5-ethyl-3H-1,3,4-thiadiazole-2-thione | CAS Registry Number: 37663-51-7
Synonyms: SureCN2212268, AGN-PC-001GT7, CHEMBL567156, CTK1B5475, AKOS003677768

Molecular Formula: C4H6N2S2Molecular Weight: 146.233840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UFSCJPPXRHCNLK-UHFFFAOYSA-N

• 1H-BENZO[D]IMIDAZOLE-2-METHANAMINE,5,6-DIMETHYL-
IUPAC Name: (5,6-dimethyl-1H-benzimidazol-2-yl)methanamine | CAS Registry Number: 89219-03-4
Synonyms: AC1L9O8N, Ambcb4002549, AC1Q2O55, SCHEMBL9999681, MolPort-000-140-125, AKOS011621274, MCULE-1704193651, AJ-21287, AK-99378, DA-01711, 5,6-dimethyl-1H-Benzimidazole-2-methanamine, Y-4826, (5,6-dimethyl-1H-benzimidazol-2-yl)methanamine, 1-(5,6-dimethyl-1H-benzimidazol-2-yl)methanamine, (5,6-Dimethyl-1H-benzo[d]imidazol-2-yl)methanamine, C-(5,6-Dimethyl-1H-Benzoimidazol-2-Yl)-Methylamine

Molecular Formula: C10H13N3Molecular Weight: 175.230320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YVGNMPOXSOIKSS-UHFFFAOYSA-N

• 4-Azaindole
IUPAC Name: 1H-pyrrolo[3,2-b]pyridine | CAS Registry Number: 272-49-1
Synonyms: 4-AZAINDOLE, 1,4-Diazaindene, Ambad403, 1H-Pyrrolo(3,2-b)pyridine, BRN 0109683, CID9226, LS-139468, TL8002199, A-9485, 5-23-06-00303 (Beilstein Handbook Reference)

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XWIYUCRMWCHYJR-UHFFFAOYSA-N

• 4,5,6,7-Tetrahydrobenzimidazole-5-carboxylic acid sulfate
IUPAC Name: sulfuric acid;4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid | CAS Registry Number: 131020-49-0
Synonyms: 4,5,6,7-Tetrahydro-1H-benzo[d]imidazole-6-carboxylic acid compound with sulfuric acid (1:1), SureCN7331483, SureCN7331499, AGN-PC-002T1I, CTK8C2610, ANW-68671, AKOS016005698, AK-75626, KB-239409, sulfuric acid;4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid

Molecular Formula: C8H12N2O6SMolecular Weight: 264.255680 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: GVWWJFUZXREUDH-UHFFFAOYSA-N

• 3,4-Dimethylumbelliferone
IUPAC Name: 7-hydroxy-3,4-dimethylchromen-2-one | CAS Registry Number: 2107-78-0
Synonyms: 3,4-Dimethyl-7-hydroxycoumarin, 7-hydroxy-3,4-dimethylchromen-2-one, 7-Hydroxy-3,4-dimethyl-chromen-2-one, 7-hydroxy-3,4-dimethyl-2H-chromen-2-one, ZINC00388631, AC1NTWEU, CHEMBL19240, STOCK1N-00788, 41727_FLUKA, CHEBI:121796, MolPort-002-367-171, DIMETHYLUMBELLIFERONE,3,4-, AKOS005175203, AB01660, MCULE-1196764977, RP24989, 3,4-dimethyl-7-oxidanyl-chromen-2-one, 7-hydroxy-3,4-dimethyl-1-benzopyran-2-one, AM20030337, A815120

Molecular Formula: C11H10O3Molecular Weight: 190.195300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QEEXKPYVMOIPKR-UHFFFAOYSA-N

• 5-(3-Pyridinyl)-1,3,4-Oxadiazole-2-Thiol
IUPAC Name: 5-pyridin-3-yl-1,3,4-oxadiazole-2-thiolate | CAS Registry Number: 3690-46-8
Synonyms: ZINC01254432

Molecular Formula: C7H4N3OS-Molecular Weight: 178.191160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: QBLWWQDTKCIRSW-UHFFFAOYSA-M

• 1H-pyrrolo[3,2-b]pyridine-5-carboxylic acid, 3-bromo-, methyl ester
IUPAC Name: methyl 3-bromo-1H-pyrrolo[3,2-b]pyridine-5-carboxylate | CAS Registry Number: 1190318-72-9
Synonyms: KB-297668, methyl 3-bromo-1H-pyrrolo[3,2-b]pyridine-5-carboxylate, 3-BROMO-4-AZAINDOLE-5-CARBOXYLIC ACID METHYL ESTER

Molecular Formula: C9H7BrN2O2Molecular Weight: 255.068080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SWSMFBGGCLRYOC-UHFFFAOYSA-N

• 3-(4-chlorophenyl)-4-methylisoxazol-5-ol
IUPAC Name: 3-(4-chlorophenyl)-4-methyl-2H-1,2-oxazol-5-one | CAS Registry Number: 72745-68-7
Synonyms: KB-233096

Molecular Formula: C10H8ClNO2Molecular Weight: 209.629020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DFFIXBDRHQIVAV-UHFFFAOYSA-N

• 1-(benzyloxycarbonyl)-3-methylazetidine-3-carboxylic acid
IUPAC Name: 3-methyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid | CAS Registry Number: 1143525-35-2
Synonyms: 1-CBZ-3-METHYLAZETIDINE-3-CARBOXYLIC ACID, SureCN3919116, PB19567, AM20020234, W8293, C-8305, 1,3-Azetidinedicarboxylic acid, 3-methyl-, 1-(phenylmethyl) ester, 1-(BENZYLOXYCARBONYL)-3-METHYLAZETIDINE-3-CARBOXYLIC ACID

Molecular Formula: C13H15NO4Molecular Weight: 249.262500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YLHQFJUQCHLXKT-UHFFFAOYSA-N

• 2,3-DICHLORO-PYRIDO[2,3-B]PYRAZINE
IUPAC Name: 2,3-dichloropyrido[2,3-b]pyrazine | CAS Registry Number: 25710-18-3
Synonyms: 2,3-dichloropyrido[2,3-b]pyrazine, 2,3-Dichloro-pyrido[2,3-b]pyrazine, AGN-PC-00G6Q3, CTK4F6326, MolPort-005-937-798, ANW-71591, ZINC21990998, AKOS015917827, ACN-001006, AG-E-79286, MCULE-1956865575, QC-4524, RD-0204, Pyrido[2,3-b]pyrazine,2,3-dichloro-, Pyrido[2,3-b]pyrazine, 2,3-dichloro-, AC-18813, AK-77587, KB-16750, FT-0686793, I14-8730

Molecular Formula: C7H3Cl2N3Molecular Weight: 200.024820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HWJDFFLZOOKZNL-UHFFFAOYSA-N

• 1-(Mercaptomethyl)cyclopropyl acetic acid
IUPAC Name: 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid | CAS Registry Number: 162515-68-6
Synonyms: 2-[1-(Mercaptomethyl)cyclopropyl]acetic acid, 1-(Mercaptomethyl)cyclopropaneacetic Acid, SBB053445, AG-E-12320, 1-(Mercaptomethyl)cyclopropaneaceticacid, 1-(Mercaptomethyl)-Cyclopropaneacetic Acid, 2-(1-(mercaptomethyl)cyclopropyl)acetic acid, 2-[(sulfanylmethyl)cyclopropyl]acetic acid, ACMC-209doh, UNII-1X00T93WYX, KSC174S2B, Jsp003256, CTK0H4920, MolPort-001-767-786, AMX10105, ANW-21999, AKOS006379354, AM84551, MCULE-2805511819, 1-(Mercaptomethyl)cyclopropylacetic acid

Molecular Formula: C6H10O2SMolecular Weight: 146.207400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VFAXPOVKNPTBTM-UHFFFAOYSA-N

• 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazol-2-amine
IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-amine | CAS Registry Number: 1224844-66-9
Synonyms: SureCN2724794, MB12758, RL01022, AK132337, AM805413, KB-40817, 2-AMINOBENZO[D]OXAZOL-5-YLBORONIC ACID PINACOL ESTER

Molecular Formula: C13H17BN2O3Molecular Weight: 260.096680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: QAFVXRPBLZCHKP-UHFFFAOYSA-N

• 5-Bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidine
IUPAC Name: 5-bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidine | CAS Registry Number: 1060816-58-1
Synonyms: 7H-Pyrrolo[2,3-d]pyrimidine, 5-bromo-2-chloro-, CTK0G9248, MolPort-009-197-650, ANW-50941, AKOS015835814, PB22339, RP28032, AK-24276, BR-24276, KB-196996, FT-0645724, X8792, C-8402

Molecular Formula: C6H3BrClN3Molecular Weight: 232.465120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SQQIUDPUHXGYOS-UHFFFAOYSA-N

• 2-Hydroxy-1,5-naphthyridine
IUPAC Name: 1H-1,5-naphthyridin-2-one | CAS Registry Number: 10261-82-2
Synonyms: 1,5-Naphthyridin-2(1H)-one, 1H-1,5-naphthyridin-2-one, [1,5]Naphthyridin-2-ol, AC1LBVEW, PYRIDINO-PYRIDINONE, SureCN276404, SureCN467585, SureCN586351, 1,5-NAPHTHYRIDIN-2-OL, CTK0H1738, ANW-57285, ZINC14982949, AKOS006305289, AKOS016001473, AG-D-12182, AK-38086, KB-173023, AM20050621, 16742-EP2315767A2, A800590

Molecular Formula: C8H6N2OMolecular Weight: 146.146040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OJFSCKNLUYOABN-UHFFFAOYSA-N

• 6-(2-oxopropyl)-3,4-dihydroquinolin-2(1H)-one
IUPAC Name: 6-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 119899-34-2
Synonyms: SCHEMBL7342604, AKOS022795991, AK340059, 6-(2-Oxopropyl)-3,4-dihydroquinolin-2(1H)-one

Molecular Formula: C12H13NO2Molecular Weight: 203.241 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NTXBPZMKPKUATK-UHFFFAOYSA-N

• 1-Chroman-4-yl-propan-2-one
IUPAC Name: 1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one | CAS Registry Number: 119304-98-2
Synonyms: AGN-PC-000P1F, 1-(chroman-4-yl)propan-2-one, 2-Propanone, 1-(3,4-dihydro-2H-1-benzopyran-4-yl)-

Molecular Formula: C12H14O2Molecular Weight: 190.238360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PKRDXJWJSDVGGN-UHFFFAOYSA-N

• 1H-Indole-1,5-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) 5-methyl ester
IUPAC Name: 1-O-tert-butyl 5-O-methyl 2,3-dihydroindole-1,5-dicarboxylate | CAS Registry Number: 272438-12-7
Synonyms: SCHEMBL846218, KANVSPBCQYQXFC-UHFFFAOYSA-N, ZINC79065414, AKOS027338004, AK339913, 1-(tert-Butoxycarbonyl)-5-methoxycarbonylindoline, 1-tert-Butyl 5-methyl indoline-1,5-dicarboxylate, 2,3-Dihydro-indole-1,5-dicarboxylic acid 1-tert-butyl ester 5-methyl ester, 2,3-Dihydro-1-(tert-butoxycarbonyl)-1H-indole-5-carboxylic acid methyl ester

Molecular Formula: C15H19NO4Molecular Weight: 277.320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KANVSPBCQYQXFC-UHFFFAOYSA-N

• 8-Chloro-[1,7]naphthyridine
IUPAC Name: 8-chloro-1,7-naphthyridine | CAS Registry Number: 13058-77-0
Synonyms: 8-Chloro-1,7-naphthyridine, 1,7-Naphthyridine, 8-chloro-, CTK0F5710, 8-chloropyridino[2,3-c]pyridine, MolPort-000-002-808, ANW-72650, SBB081642, ZINC26897383, AKOS000276547, AB45031, AG-A-92730, AK-31220, KB-250328, C67009

Molecular Formula: C8H5ClN2Molecular Weight: 164.591700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FMSVBSQYYFTDSR-UHFFFAOYSA-N

• 5-Nitroindole-2,3-dione
IUPAC Name: 5-nitro-1H-indole-2,3-dione | CAS Registry Number: 611-09-6
Synonyms: 5-Nitroisatin, N-Nitroisatin, Isatin analog 3, Isatin, 5-nitro-, 5-Nitro-1H-indole-2,3-dione, 1H-Indole-2,3-dione, 5-nitro-, Isatin-based compound, 37, CCRIS 4031, INDOLE-2,3-DIONE, 5-NITRO-, N17807_ALDRICH, Isatin, 5-nitro- (6CI), EINECS 210-252-5, NSC 525798, ALBB-002904, 2,3-Dihydro-5-nitroindole-2,3-dione, BRN 0180223, NSC525798, ZINC03860649, LS-83040, 1H-Indole-2,3-dione, 5-nitro- (9CI)

Molecular Formula: C8H4N2O4Molecular Weight: 192.128360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UNMYHYODJHKLOC-UHFFFAOYSA-N

• 3-chloro-4H-1,2,4-triazole (CAS: 1041506-63-1)
• 1H-Indazole-6-carboxylic acid ethyl ester
IUPAC Name: ethyl 1H-indazole-6-carboxylate | CAS Registry Number: 713-09-7
Synonyms: ETHYL 1H-INDAZOLE-6-CARBOXYLATE, AG-G-79172, SureCN562951, KSC375K5L, CTK2H5555, MolPort-008-155-405, ANW-60864, WTI-10186, AKOS005255628, RP00009, AK-79246, KB-251980, FT-0686796, Y5534, A19617, I14-8734

Molecular Formula: C10H10N2O2Molecular Weight: 190.198600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QKEIGRHNDNLBNJ-UHFFFAOYSA-N

• 8-Bromo-2-Chloroquinoline
IUPAC Name: 8-bromo-2-chloroquinoline | CAS Registry Number: 163485-86-7
Synonyms: 8-bromo-2-chloroquinoline, PubChem16930, ACMC-1C4CD, CTK4D1557, MolPort-001-770-527, ANW-22046, OR8709, AKOS013530522, AB48778, AG-L-22225, MCULE-4174734056, QUINOLINE, 8-BROMO-2-CHLORO-, RP05909, AK-33570, BR-33570, KB-46670, FT-0682315, W3567, C-6402, I08-0323

Molecular Formula: C9H5BrClNMolecular Weight: 242.499700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZXSUGMMMZOMZTD-UHFFFAOYSA-N

• 5-Thiazolemethanol, 2-(methoxymethyl)-4-methyl-
IUPAC Name: [2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methanol | CAS Registry Number: 874279-09-1
Synonyms: [2-(Methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methanol, SCHEMBL3274275, ZINC79064728, AKOS026675750, TS-02387

Molecular Formula: C7H11NO2SMolecular Weight: 173.230 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SWTAMBZLSFUSTG-UHFFFAOYSA-N

• 3-Bromo-2-trifluoromethyl-imidazo[1,2-a]pyridine
IUPAC Name: 3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine | CAS Registry Number: 503172-42-7
Synonyms: 3-Bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine, SureCN10012248, CTK5I9059, MolPort-009-194-501, SBB102870, ZINC36533761, AKOS005072472, AG-A-57856, ED-0250, MCULE-8869501205, RP14901, KB-85749, 3-bromo-2-(trifluoromethyl)-4-hydroimidazo[1,2-a]pyridine

Molecular Formula: C8H4BrF3N2Molecular Weight: 265.029970 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UWFXWNIDZUWCAY-UHFFFAOYSA-N

• 5-o-tolyl-1,3,4-thiadiazole-2(3H)-thione
IUPAC Name: 5-(2-methylphenyl)-3H-1,3,4-thiadiazole-2-thione | CAS Registry Number: 76779-96-9
Synonyms: SureCN971700, CTK2G7346, AKOS003676632, 1,3,4-Thiadiazole-2(3H)-thione, 5-(2-methylphenyl)-

Molecular Formula: C9H8N2S2Molecular Weight: 208.303220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XCEAATBVFYNDLR-UHFFFAOYSA-N

• 1,4-DIHYDRO-PYRIDO[2,3-B]PYRAZINE-2,3-DIONE
IUPAC Name: 1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione | CAS Registry Number: 2067-84-7
Synonyms: 1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione, Pyrido(2,3-b)pyrazine-2,3-diol, pyrido[2,3-b]pyrazine-2,3(1H,4H)-dione, Pyrido[2,3-b]pyrazine-2,3-diol, EINECS 218-186-9, NSC 91561, 1,4-Dihydro-pyrido[2,3-b]pyrazine-2, 1,4-Dihydropyrido(2,3-b)pyrazine-2,3-dione, AB-323/25048514, NSC91561, Pyrido[2,3-diol, ,3-dione, AC1L2MXC, Maybridge1_002158, SureCN360425, SureCN939186, AC1Q6M2J, SureCN2491025, Oprea1_228486, Oprea1_563649

Molecular Formula: C7H5N3O2Molecular Weight: 163.133500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZTCJWOFMAWQWRD-UHFFFAOYSA-N

• 4-Chloro-7-azaindole
IUPAC Name: 4-chloro-1H-pyrrolo[2,3-b]pyridine | CAS Registry Number: 55052-28-3
Synonyms: 4-CHLORO-7-AZAINDOLE, 4-chloro-1H-pyrrolo[2,3-b]pyridine, AG-F-92201, 1H-PYRROLO[2,3-B]PYRIDINE, 4-CHLORO-, AN-584/43416898, PubChem17277, AC1Q3HXF, AC1Q3HXG, ACMC-1AY8O, SureCN100651, 4-CHLORO-7-AZAINDOL, KSC494A8L, AGN-PC-0084ST, 4-chloropyrrolo[2,3-b]pyridine, CTK3J4085, HIN1337, MolPort-001-758-292, ACN-S002668, ACT03614, 4-chlor-1H-pyrrolo[2,3-b]pyridin

Molecular Formula: C7H5ClN2Molecular Weight: 152.581000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HNTZVGMWXCFCTA-UHFFFAOYSA-N

• 1-(isochroman-1-yl)propan-2-one
IUPAC Name: 1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-one | CAS Registry Number: 82584-14-3
Synonyms: SureCN7399518, CTK3D8204, AKOS013562874, 2-Propanone, 1-(3,4-dihydro-1H-2-benzopyran-1-yl)-

Molecular Formula: C12H14O2Molecular Weight: 190.238360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VZHBSYGSBXVCBK-UHFFFAOYSA-N

• 3-FLUOROQUINOLINE
IUPAC Name: 3-fluoroquinoline | CAS Registry Number: 396-31-6
Synonyms: 3-Fluoroquinoline, Quinoline, 3-fluoro-, CCRIS 2893, UFIGOYSEDNHKGT-UHFFFAOYSA-, CID96405, NSC72370, ZINC01698486, LS-141955, InChI=1/C9H6FN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H

Molecular Formula: C9H6FNMolecular Weight: 147.149043 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UFIGOYSEDNHKGT-UHFFFAOYSA-N

• 5-PROPYL-[1,3,4]THIADIAZOL-2-YLAMINE
IUPAC Name: 5-propyl-1,3,4-thiadiazol-2-amine | CAS Registry Number: 39223-04-6
Synonyms: Enamine_001076, Oprea1_080936, Oprea1_264764, 5-Propyl-1,3,4-thiadiazol-2-amine, STOCK2S-56352, MolPort-000-147-520, ZINC00127802, HMS1397A20, ALBB-009388, CID575394, STK018263, 2-Amino-5-propyl-1,3,4-thiadiazole, 5-Propyl-[1,3,4]thiadiazol-2-ylamine, BAS 00134388, BAS 06403465

Molecular Formula: C5H9N3SMolecular Weight: 143.210060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NLQURINLKRAGIF-UHFFFAOYSA-N

• 2-Propanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-
IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-one | CAS Registry Number: 15033-65-5
Synonyms: 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propan-2-one, SureCN5207755, CTK8C1052, MolPort-001-784-715, ANW-65790, AKOS006273904, AK-87560, KB-212560

Molecular Formula: C11H12O3Molecular Weight: 192.211180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BKWCNNIPHHIQBS-UHFFFAOYSA-N


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