Vitas-M small molecule compound
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-(3,4,5-trifluorophenyl)hex-4-enamide
Catalog ID
STL520429
SMILES COc1c(C/C=C(/CCC(=O)Nc2cc(F)c(c(c2)F)F)\C)c(O)c2c(c1C)COC2=O
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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 C23H22F3NO5 MW 449.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22F3NO5/c1-11(5-7-18(28)27-13-8-16(24)20(26)17(25)9-13)4-6-14-21(29)19-15(10-32-23(19)30)12(2)22(14)31-3/h4,8-9,29H,5-7,10H2,1-3H3,(H,27,28)/b11-4+InChIKey
YTTHJUWDOFBRNO-NYYWCZLTSA-NSynonyms
1282459-04-4(~(E))6(4hydroxy6methoxy7methyl3oxo1~(H)2benzofuran5yl)4methyl~(N)(345trifluorophenyl)hex4enamide
(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(345trifluorophenyl)hex4enamide
(E)6(4HYDROXY6METHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLN(345TRIFLUOROPHENYL)HEX4ENAMIDE
1282459044
52905443
COc1c(CC=C(CCC(=O)Nc2cc(F)c(c(c2)F)F)C)c(O)c2c(c1C)COC2=O
InChI=1SC23H22F3NO5c111(5718(28)2713816(24)20(26)17(25)913)461421(29)1915(103223(19)30)12(2)22(14)313h48929H5710H213H3(H2728)b114+
MFCD18791049
ZINC000062001665
ZINC62001665
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