Vitas-M small molecule compound
(4E)-N-[3-(acetylamino)phenyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Catalog ID
STL521605
SMILES COc1c(C/C=C(/CCC(=O)Nc2cccc(c2)NC(=O)C)\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 C25H28N2O6 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O6/c1-14(9-11-21(29)27-18-7-5-6-17(12-18)26-16(3)28)8-10-19-23(30)22-20(13-33-25(22)31)15(2)24(19)32-4/h5-8,12,30H,9-11,13H2,1-4H3,(H,26,28)(H,27,29)/b14-8+InChIKey
BEDKUZPVUGOPBZ-RIYZIHGNSA-NSynonyms
1574537-24-8(~(E))~(N)(3acetamidophenyl)6(4hydroxy6methoxy7methyl3oxo1~(H)2benzofuran5yl)4methylhex4enamide
(4E)N(3(acetylamino)phenyl)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enamide
(E)N(3ACETAMIDOPHENYL)6(4HYDROXY6METHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLHEX4ENAMIDE
1574537248
75464653
COc1c(CC=C(CCC(=O)Nc2cccc(c2)NC(=O)C)C)c(O)c2c(c1C)COC2=O
InChI=1SC25H28N2O6c114(91121(29)271875617(1218)2616(3)28)8101923(30)2220(133325(22)31)15(2)24(19)324h581230H91113H214H3(H2628)(H2729)b148+
MFCD28050847
ZINC000095547456
ZINC95547456
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