Vitas-M small molecule compound
ethyl 4-[({[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK812495
SMILES CCCCOc1ccc(cc1)c1nc(SCC(=O)Nc2ccc(cc2)C(=O)OCC)c(c(c1)C(F)(F)F)C#N
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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 C28H26F3N3O4S MW 557.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26F3N3O4S/c1-3-5-14-38-21-12-8-18(9-13-21)24-15-23(28(29,30)31)22(16-32)26(34-24)39-17-25(35)33-20-10-6-19(7-11-20)27(36)37-4-2/h6-13,15H,3-5,14,17H2,1-2H3,(H,33,35)InChIKey
PDAFTBMYDCDYDF-UHFFFAOYSA-NSynonyms
CCCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC
ethyl4((((6(4butoxyphenyl)3cyano4(trifluoromethyl)pyridin2yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2(6(4BUTOXYPHENYL)3CYANO4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYLACETYL)AMINO)BENZOATE
InChI=1SC28H26F3N3O4Sc13514382112818(91321)241523(28(2930)31)22(1632)26(3424)391725(35)332010619(71120)27(36)3742h61315H351417H212H3(H3335)
MFCD06265016
ZINC000098046348
ZINC98046348
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