Vitas-M small molecule compound
(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylhex-4-enamide
Catalog ID
STL520492
SMILES COc1ccc(cc1)CCNC(=O)CC/C(=C/Cc1c(OC)c(C)c2c(c1OC)C(=O)OC2)/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 C27H33NO6 MW 467.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO6/c1-17(7-13-23(29)28-15-14-19-8-10-20(31-3)11-9-19)6-12-21-25(32-4)18(2)22-16-34-27(30)24(22)26(21)33-5/h6,8-11H,7,12-16H2,1-5H3,(H,28,29)/b17-6+InChIKey
MEJOQRIWEBZIGC-UBKPWBPPSA-NSynonyms
1282457-93-5(~(E))6(46dimethoxy7methyl3oxo1~(H)2benzofuran5yl)~(N)(2(4methoxyphenyl)ethyl)4methylhex4enamide
(4E)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)N(2(4methoxyphenyl)ethyl)4methylhex4enamide
(E)6(46DIMETHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)N(4METHOXYPHENETHYL)4METHYLHEX4ENAMIDE
1282457935
52905196
COc1ccc(cc1)CCNC(=O)CCC(=CCc1c(OC)c(C)c2c(c1OC)C(=O)OC2)C
InChI=1SC27H33NO6c117(71323(29)2815141981020(313)11919)6122125(324)18(2)22163427(30)24(22)26(21)335h6811H71216H215H3(H2829)b176+
MFCD18790907
ZINC000062001462
ZINC62001462
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