Vitas-M small molecule compound
6-[3-methyl-4-(3-methylbutoxy)phenyl]-2-[(2-oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
Catalog ID
STK800702
SMILES N#Cc1c(SCC(=O)c2ccccc2)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 C27H25F3N2O2S MW 498.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25F3N2O2S/c1-17(2)11-12-34-25-10-9-20(13-18(25)3)23-14-22(27(28,29)30)21(15-31)26(32-23)35-16-24(33)19-7-5-4-6-8-19/h4-10,13-14,17H,11-12,16H2,1-3H3InChIKey
XRGRIYNZPOEUAI-UHFFFAOYSA-NSynonyms
6(3methyl4(3methylbutoxy)phenyl)2((2oxo2phenylethyl)sulfanyl)4(trifluoromethyl)pyridine3carbonitrile
6(3methyl4(3methylbutoxy)phenyl)2phenacylsulfanyl4(trifluoromethyl)pyridine3carbonitrile
CC1=C(C=CC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)C3=CC=CC=C3)OCCC(C)C
InChI=1SC27H25F3N2O2Sc117(2)1112342510920(1318(25)3)231422(27(2829)30)21(1531)26(3223)351624(33)197546819h410131417H111216H213H3
MFCD06642931
ZINC000016735885
ZINC16735885
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