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-(pyridin-4-yl)hex-4-enamide
Catalog ID
STL522258
SMILES COc1c(C/C=C(/CCC(=O)Nc2ccncc2)\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 C22H24N2O5 MW 396.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O5/c1-13(5-7-18(25)24-15-8-10-23-11-9-15)4-6-16-20(26)19-17(12-29-22(19)27)14(2)21(16)28-3/h4,8-11,26H,5-7,12H2,1-3H3,(H,23,24,25)/b13-4+InChIKey
OKVUWBZJOIJFNC-YIXHJXPBSA-NSynonyms
1574537-29-3(~(E))6(4hydroxy6methoxy7methyl3oxo1~(H)2benzofuran5yl)4methyl~(N)pyridin4ylhex4enamide
(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(pyridin4yl)hex4enamide
(E)6(4HYDROXY6METHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLN(PYRIDIN4YL)HEX4ENAMIDE
1574537293
75464703
COc1c(CC=C(CCC(=O)Nc2ccncc2)C)c(O)c2c(c1C)COC2=O
InChI=1SC22H24N2O5c113(5718(25)24158102311915)461620(26)1917(122922(19)27)14(2)21(16)283h481126H5712H213H3(H232425)b134+
MFCD28051697
ZINC000096115803
ZINC96115803
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