Vitas-M small molecule compound
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-N-[2-(1H-imidazol-4-yl)ethyl]-4-methylhex-4-enamide
Catalog ID
STL522612
SMILES COc1c(C/C=C(/CCC(=O)NCCc2c[nH]cn2)\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 C22H27N3O5 MW 413.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O5/c1-13(5-7-18(26)24-9-8-15-10-23-12-25-15)4-6-16-20(27)19-17(11-30-22(19)28)14(2)21(16)29-3/h4,10,12,27H,5-9,11H2,1-3H3,(H,23,25)(H,24,26)/b13-4+InChIKey
ALEVTASLMSMTAJ-YIXHJXPBSA-NSynonyms
1630908-35-8(~(E))6(4hydroxy6methoxy7methyl3oxo1~(H)2benzofuran5yl)~(N)(2(1~(H)imidazol5yl)ethyl)4methylhex4enamide
(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)N(2(1Himidazol4yl)ethyl)4methylhex4enamide
(E)N(2(1HIMIDAZOL4YL)ETHYL)6(4HYDROXY6METHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLHEX4ENAMIDE
1630908358
91638074
COc1c(CC=C(CCC(=O)NCCc2c(nH)cn2)C)c(O)c2c(c1C)COC2=O
InChI=1SC22H27N3O5c113(5718(26)2498151023122515)461620(27)1917(113022(19)28)14(2)21(16)293h4101227H5911H213H3(H2325)(H2426)b134+
MFCD28349777
ZINC000217842106
ZINC217842106
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