Vitas-M small molecule compound
methyl 3-{1-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxy-6-methyl-4-oxo-1,4-dihydropyridin-3-yl}-3-(4-oxo-4H-chromen-3-yl)propanoate
Catalog ID
STL546892
SMILES COC(=O)CC(c1c(=O)cc(n(c1O)CCc1ccc(c(c1)O)O)C)c1coc2c(c1=O)cccc2
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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 C27H25NO8 MW 491.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO8/c1-15-11-22(31)25(27(34)28(15)10-9-16-7-8-20(29)21(30)12-16)18(13-24(32)35-2)19-14-36-23-6-4-3-5-17(23)26(19)33/h3-8,11-12,14,18,29-30,34H,9-10,13H2,1-2H3InChIKey
WJBFUWFRQDAAQH-UHFFFAOYSA-NSynonyms
InChI=1SC27H25NO8c1151122(31)25(27(34)28(15)109167820(29)21(30)1216)18(1324(32)352)19143623643517(23)26(19)33h3811121418293034H91013H212H3
methyl3(1(2(34dihydroxyphenyl)ethyl)2hydroxy6methyl4oxo14dihydropyridin3yl)3(4oxo4Hchromen3yl)propanoate
MFCD31756475
ZINC000409414459
ZINC000409414461
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