Vitas-M small molecule compound
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-[3-methyl-4-(3-methylbutoxy)phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
Catalog ID
STK800691
SMILES N#Cc1c(SCC(=O)c2ccc(cc2)F)nc(cc1C(F)(F)F)c1ccc(c(c1)C)OCCC(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 C27H24F4N2O2S MW 516.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24F4N2O2S/c1-16(2)10-11-35-25-9-6-19(12-17(25)3)23-13-22(27(29,30)31)21(14-32)26(33-23)36-15-24(34)18-4-7-20(28)8-5-18/h4-9,12-13,16H,10-11,15H2,1-3H3InChIKey
DCMRPQXRJRLXLY-UHFFFAOYSA-NSynonyms
2((2(4fluorophenyl)2oxoethyl)sulfanyl)6(3methyl4(3methylbutoxy)phenyl)4(trifluoromethyl)pyridine3carbonitrile
2(2(4fluorophenyl)2oxoethyl)sulfanyl6(3methyl4(3methylbutoxy)phenyl)4(trifluoromethyl)pyridine3carbonitrile
CC1=C(C=CC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)C3=CC=C(C=C3)F)OCCC(C)C
InChI=1SC27H24F4N2O2Sc116(2)101135259619(1217(25)3)231322(27(2930)31)21(1432)26(3323)361524(34)184720(28)8518h49121316H101115H213H3
MFCD06642921
ZINC000016805864
ZINC16805864
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