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-(1-methyl-1H-benzimidazol-5-yl)hex-4-enamide
Catalog ID
STL521701
SMILES COc1c(C/C=C(/CCC(=O)Nc2ccc3c(c2)ncn3C)\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 C25H27N3O5 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5/c1-14(6-10-21(29)27-16-7-9-20-19(11-16)26-13-28(20)3)5-8-17-23(30)22-18(12-33-25(22)31)15(2)24(17)32-4/h5,7,9,11,13,30H,6,8,10,12H2,1-4H3,(H,27,29)/b14-5+InChIKey
WZNIXEMLQBNPCC-LHHJGKSTSA-NSynonyms
1574537-38-4(~(E))6(4hydroxy6methoxy7methyl3oxo1~(H)2benzofuran5yl)4methyl~(N)(1methylbenzimidazol5yl)hex4enamide
(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(1methyl1Hbenzimidazol5yl)hex4enamide
(E)6(4HYDROXY6METHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLN(1METHYL1HBENZO(D)IMIDAZOL5YL)HEX4ENAMIDE
1574537384
75464666
COc1c(CC=C(CCC(=O)Nc2ccc3c(c2)ncn3C)C)c(O)c2c(c1C)COC2=O
InChI=1SC25H27N3O5c114(61021(29)2716792019(1116)261328(20)3)581723(30)2218(123325(22)31)15(2)24(17)324h579111330H681012H214H3(H2729)b145+
MFCD28051059
ZINC000096114589
ZINC96114589
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