Vitas-M small molecule compound
2-{[3-cyano-4-(furan-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[4-(piperidin-1-ylsulfonyl)phenyl]acetamide
Catalog ID
STK826548
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCCC2)NC2=C(C1c1ccco1)C(=O)CC(C2)(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 C29H32N4O5S2 MW 580.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O5S2/c1-29(2)15-22-27(23(34)16-29)26(24-7-6-14-38-24)21(17-30)28(32-22)39-18-25(35)31-19-8-10-20(11-9-19)40(36,37)33-12-4-3-5-13-33/h6-11,14,26,32H,3-5,12-13,15-16,18H2,1-2H3,(H,31,35)InChIKey
IQQGHMBOLGZNNJ-UHFFFAOYSA-NSynonyms
554423-41-52((3cyano4(furan2yl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(4(piperidin1ylsulfonyl)phenyl)acetamide
2((3cyano4(furan2yl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(4piperidin1ylsulfonylphenyl)acetamide
554423415
CC1(CC2=C(C(C(=C(N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C#N)C5=CC=CO5)C(=O)C1)C
InChI=1SC29H32N4O5S2c129(2)152227(23(34)1629)26(2476143824)21(1730)28(3222)391825(35)311981020(11919)40(3637)33124351333h611142632H351213151618H212H3(H3135)
MFCD03981673
ZINC000002697938
ZINC000002697941
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