Vitas-M small molecule compound
4-({[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)benzoic acid
Catalog ID
STK547349
SMILES N#Cc1c(SCc2ccc(cc2)C(=O)O)nc(cc1C(F)(F)F)C(C)(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 C19H17F3N2O2S MW 394.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17F3N2O2S/c1-18(2,3)15-8-14(19(20,21)22)13(9-23)16(24-15)27-10-11-4-6-12(7-5-11)17(25)26/h4-8H,10H2,1-3H3,(H,25,26)InChIKey
GUWKQEAQLGZRPY-UHFFFAOYSA-NSynonyms
445391-41-34(((6(tertbutyl)3cyano4(trifluoromethyl)pyridin2yl)thio)methyl)benzoicacid
4(((6tertbutyl3cyano4(trifluoromethyl)pyridin2yl)sulfanyl)methyl)benzoicacid
4((6TERTBUTYL3CYANO4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYLMETHYL)BENZOICACID
445391413
CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=CC=C(C=C2)C(=O)O
InChI=1SC19H17F3N2O2Sc118(23)15814(19(2021)22)13(923)16(2415)2710114612(7511)17(25)26h48H10H213H3(H2526)
MFCD03234822
ZINC000004888863
ZINC4888863
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