Vitas-M small molecule compound
(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-(propan-2-yl)hex-4-enamide
Catalog ID
STL473914
SMILES COc1c(C/C=C(/CCC(=O)NC(C)C)\C)c(OC)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 C21H29NO5 MW 375.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO5/c1-12(2)22-17(23)10-8-13(3)7-9-15-19(25-5)14(4)16-11-27-21(24)18(16)20(15)26-6/h7,12H,8-11H2,1-6H3,(H,22,23)/b13-7+InChIKey
PDKCOHOYWDBCIT-NTUHNPAUSA-NSynonyms
1574537-57-7(4E)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(propan2yl)hex4enamide
(E)6(46dimethoxy7methyl3oxo13dihydroisobenzofuran5yl)Nisopropyl4methylhex4enamide
(E)6(46dimethoxy7methyl3oxo1H2benzofuran5yl)4methylNpropan2ylhex4enamide
1574537577
CC1=C(C(=C(C2=C1COC2=O)OC)CC=C(C)CCC(=O)NC(C)C)OC
COc1c(CC=C(CCC(=O)NC(C)C)C)c(OC)c2c(c1C)COC2=O
InChI=1SC21H29NO5c112(2)2217(23)10813(3)791519(255)14(4)16112721(24)18(16)20(15)266h712H811H216H3(H2223)b137+
MFCD28051861
ZINC000096116097
ZINC96116097
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