Vitas-M small molecule compound
methyl 4-({[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)benzoate
Catalog ID
STL146172
SMILES COC(=O)c1ccc(cc1)CSc1nc(C)cc(c1C#N)C(F)(F)F
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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 C17H13F3N2O2S MW 366.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13F3N2O2S/c1-10-7-14(17(18,19)20)13(8-21)15(22-10)25-9-11-3-5-12(6-4-11)16(23)24-2/h3-7H,9H2,1-2H3InChIKey
JWYLQUIVSFJXFL-UHFFFAOYSA-NSynonyms
1351772-00-31351772003
CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=CC=C(C=C2)C(=O)OC
InChI=1SC17H13F3N2O2Sc110714(17(1819)20)13(821)15(2210)259113512(6411)16(23)242h37H9H212H3
methyl4(((3cyano6methyl4(trifluoromethyl)pyridin2yl)sulfanyl)methyl)benzoate
methyl4((3cyano6methyl4(trifluoromethyl)pyridin2yl)sulfanylmethyl)benzoate
MFCD20753541
ZINC000021514421
ZINC21514421
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