Vitas-M small molecule compound
4-(4-ethoxyphenyl)-2-{[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,4a,5,6,7,8,8a-octahydroquinoline-3-carbonitrile
Catalog ID
STK886450
SMILES CCOc1ccc(cc1)C1C2C(CCCC2=O)NC(=C1C#N)SCC(=O)N1C(C)Cc2c1cccc2
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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 C29H31N3O3S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S/c1-3-35-21-13-11-19(12-14-21)27-22(16-30)29(31-23-8-6-10-25(33)28(23)27)36-17-26(34)32-18(2)15-20-7-4-5-9-24(20)32/h4-5,7,9,11-14,18,23,27-28,31H,3,6,8,10,15,17H2,1-2H3InChIKey
DGUZXGPIRAWCQW-UHFFFAOYSA-NSynonyms
4(4ethoxyphenyl)2((2(2methyl23dihydro1Hindol1yl)2oxoethyl)sulfanyl)5oxo144a56788aoctahydroquinoline3carbonitrile
4(4ethoxyphenyl)2(2(2methyl23dihydroindol1yl)2oxoethyl)sulfanyl5oxo44a6788ahexahydro1Hquinoline3carbonitrile
CCOC1=CC=C(C=C1)C2C3C(CCCC3=O)NC(=C2C#N)SCC(=O)N4C(CC5=CC=CC=C54)C
InChI=1SC29H31N3O3Sc133521131119(121421)2722(1630)29(3123861025(33)28(23)27)361726(34)3218(2)1520745924(20)32h457911141823272831H368101517H212H3
MFCD10086903
ZINC000020347964
ZINC000245254995
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