Vitas-M small molecule compound
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-N-(2-methoxybenzyl)-4-methylhex-4-enamide
Catalog ID
STL471026
SMILES COc1c(C/C=C(/CCC(=O)NCc2ccccc2OC)\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 C25H29NO6 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6/c1-15(10-12-21(27)26-13-17-7-5-6-8-20(17)30-3)9-11-18-23(28)22-19(14-32-25(22)29)16(2)24(18)31-4/h5-9,28H,10-14H2,1-4H3,(H,26,27)/b15-9+InChIKey
ZSZOBPJFSPBONE-OQLLNIDSSA-NSynonyms
1282457-39-9(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)N(2methoxybenzyl)4methylhex4enamide
(E)6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)N(2methoxybenzyl)4methylhex4enamide
(E)6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)N((2methoxyphenyl)methyl)4methylhex4enamide
1282457399
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)NCC3=CC=CC=C3OC)OC
COc1c(CC=C(CCC(=O)NCc2ccccc2OC)C)c(O)c2c(c1C)COC2=O
InChI=1SC25H29NO6c115(101221(27)261317756820(17)303)9111823(28)2219(143225(22)29)16(2)24(18)314h5928H1014H214H3(H2627)b159+
MFCD18791071
ZINC000062001698
ZINC62001698
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