Vitas-M small molecule compound
(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-(3,4,5-trimethoxyphenyl)hex-4-enamide
Catalog ID
STL471102
SMILES COc1c(OC)cc(cc1OC)NC(=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 C27H33NO8 MW 499.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO8/c1-15(9-11-22(29)28-17-12-20(31-3)26(35-7)21(13-17)32-4)8-10-18-24(33-5)16(2)19-14-36-27(30)23(19)25(18)34-6/h8,12-13H,9-11,14H2,1-7H3,(H,28,29)/b15-8+InChIKey
FEHZVQIRAQRDRS-OVCLIPMQSA-NSynonyms
1282457-79-7(4E)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(345trimethoxyphenyl)hex4enamide
(E)6(46dimethoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylN(345trimethoxyphenyl)hex4enamide
(E)6(46dimethoxy7methyl3oxo1H2benzofuran5yl)4methylN(345trimethoxyphenyl)hex4enamide
1282457797
CC1=C(C(=C(C2=C1COC2=O)OC)CC=C(C)CCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC)OC
COc1c(OC)cc(cc1OC)NC(=O)CCC(=CCc1c(OC)c(C)c2c(c1OC)C(=O)OC2)C
InChI=1SC27H33NO8c115(91122(29)28171220(313)26(357)21(1317)324)8101824(335)16(2)19143627(30)23(19)25(18)346h81213H91114H217H3(H2829)b158+
MFCD18791102
ZINC000062001729
ZINC62001729
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