Vitas-M small molecule compound

2-({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide

Catalog ID
STK826475
SMILES COc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)C(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C28H29N3O3S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S/c1-17(2)18-7-9-19(10-8-18)26-22(15-29)28(31-23-5-4-6-24(32)27(23)26)35-16-25(33)30-20-11-13-21(34-3)14-12-20/h7-14,17,26,31H,4-6,16H2,1-3H3,(H,30,33)
InChIKey
BKROZZZUGNSFJD-UHFFFAOYSA-N
Synonyms

2((3cyano5oxo4(4(propan2yl)phenyl)145678hexahydroquinolin2yl)sulfanyl)N(4methoxyphenyl)acetamide
2((3cyano5oxo4(4propan2ylphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)N(4methoxyphenyl)acetamide
CC(C)C1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=C(C=C4)OC)C#N
InChI=1SC28H29N3O3Sc117(2)187919(10818)2622(1529)28(312354624(32)27(23)26)351625(33)3020111321(343)141220h714172631H4616H213H3(H3033)
MFCD04218616
ZINC000001113122
ZINC000001113125

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Available files

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