Vitas-M small molecule compound
2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Catalog ID
STL005448
SMILES N#Cc1c(SCC(=O)c2ccc3c(c2)OCO3)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 C20H17F3N2O3S MW 422.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17F3N2O3S/c1-19(2,3)17-7-13(20(21,22)23)12(8-24)18(25-17)29-9-14(26)11-4-5-15-16(6-11)28-10-27-15/h4-7H,9-10H2,1-3H3InChIKey
KPFCPGVKTGIAAJ-UHFFFAOYSA-NSynonyms
625377-40-42((2(13BENZODIOXOL5YL)2OXOETHYL)SULFANYL)6(TERTBUTYL)4(TRIFLUOROMETHYL)NICOTINONITRILE
2((2(13benzodioxol5yl)2oxoethyl)sulfanyl)6tertbutyl4(trifluoromethyl)pyridine3carbonitrile
2((2(benzo(d)(13)dioxol5yl)2oxoethyl)thio)6(tertbutyl)4(trifluoromethyl)nicotinonitrile
2(2(13BENZODIOXOL5YL)2OXOETHYL)SULFANYL6TERTBUTYL4(TRIFLUOROMETHYL)PYRIDINE3CARBONITRILE
2(2(2HBENZO(34D)13DIOXOLAN5YL)2OXOETHYLTHIO)6(TERTBUTYL)4(TRIFLUOROMETHYL)PYRIDINE3CARBONITRILE
625377404
CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)C2=CC3=C(C=C2)OCO3
InChI=1SC20H17F3N2O3Sc119(23)17713(20(2122)23)12(824)18(2517)29914(26)11451516(611)28102715h47H910H213H3
MFCD03697855
ZINC000000804088
ZINC00804088
ZINC804088
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