Vitas-M small molecule compound
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-N-(4-methoxyphenyl)-4-methylhex-4-enamide
Catalog ID
STL520535
SMILES COc1ccc(cc1)NC(=O)CC/C(=C/Cc1c(O)c2C(=O)OCc2c(c1OC)C)/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 C24H27NO6 MW 425.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO6/c1-14(6-12-20(26)25-16-7-9-17(29-3)10-8-16)5-11-18-22(27)21-19(13-31-24(21)28)15(2)23(18)30-4/h5,7-10,27H,6,11-13H2,1-4H3,(H,25,26)/b14-5+InChIKey
NIQAQYJKCFYYBX-LHHJGKSTSA-NSynonyms
1282459-82-8(~(E))6(4hydroxy6methoxy7methyl3oxo1~(H)2benzofuran5yl)~(N)(4methoxyphenyl)4methylhex4enamide
(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)N(4methoxyphenyl)4methylhex4enamide
(E)6(4HYDROXY6METHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)N(4METHOXYPHENYL)4METHYLHEX4ENAMIDE
1282459828
52905126
COc1ccc(cc1)NC(=O)CCC(=CCc1c(O)c2C(=O)OCc2c(c1OC)C)C
InChI=1SC24H27NO6c114(61220(26)25167917(293)10816)5111822(27)2119(133124(21)28)15(2)23(18)304h571027H61113H214H3(H2526)b145+
MFCD18790861
ZINC000062001401
ZINC62001401
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