Vitas-M small molecule compound
4-(4-fluorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK826919
SMILES N#CC1=C(SCC(=O)c2ccc(cc2)OC)NC2=C(C1c1ccc(cc1)F)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 C27H25FN2O3S MW 476.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25FN2O3S/c1-27(2)12-21-25(22(31)13-27)24(17-4-8-18(28)9-5-17)20(14-29)26(30-21)34-15-23(32)16-6-10-19(33-3)11-7-16/h4-11,24,30H,12-13,15H2,1-3H3InChIKey
BNTVKGQVWGRLSA-UHFFFAOYSA-NSynonyms
4(4fluorophenyl)2((2(4methoxyphenyl)2oxoethyl)sulfanyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
4(4fluorophenyl)2(2(4methoxyphenyl)2oxoethyl)sulfanyl77dimethyl5oxo1468tetrahydroquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2)SCC(=O)C3=CC=C(C=C3)OC)C#N)C4=CC=C(C=C4)F)C(=O)C1)C
InChI=1SC27H25FN2O3Sc127(2)122125(22(31)1327)24(174818(28)9517)20(1429)26(3021)341523(32)1661019(333)11716h4112430H121315H213H3
MFCD10086909
ZINC000012250545
ZINC000012250546
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