Vitas-M small molecule compound
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{1-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxy-6-methyl-4-oxo-1,4-dihydropyridin-3-yl}propanoate
Catalog ID
STL547827
SMILES COC(=O)CC(c1c(=O)cc(n(c1O)CCc1ccc(c(c1)O)O)C)c1ccc2c(c1)OCCO2
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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 C26H27NO8 MW 481.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO8/c1-15-11-21(30)25(26(32)27(15)8-7-16-3-5-19(28)20(29)12-16)18(14-24(31)33-2)17-4-6-22-23(13-17)35-10-9-34-22/h3-6,11-13,18,28-29,32H,7-10,14H2,1-2H3InChIKey
UOOGXCQQFSXHHU-UHFFFAOYSA-NSynonyms
InChI=1SC26H27NO8c1151121(30)25(26(32)27(15)87163519(28)20(29)1216)18(1424(31)332)17462223(1317)351093422h36111318282932H71014H212H3
methyl3(23dihydro14benzodioxin6yl)3(1(2(34dihydroxyphenyl)ethyl)2hydroxy6methyl4oxo14dihydropyridin3yl)propanoate
MFCD31756648
ZINC000409414374
ZINC000409414377
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