Vitas-M small molecule compound
methyl 3-{1-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-(7-hydroxy-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)propanoate
Catalog ID
STL547966
SMILES COC(=O)CC(c1c(O)cc(n(c1=O)CCc1ccc(c(c1)O)O)C)c1cc2cc3OCCOc3cc2nc1O
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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 C29H28N2O9 MW 548.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O9/c1-15-9-23(34)27(29(37)31(15)6-5-16-3-4-21(32)22(33)10-16)18(13-26(35)38-2)19-11-17-12-24-25(40-8-7-39-24)14-20(17)30-28(19)36/h3-4,9-12,14,18,32-34H,5-8,13H2,1-2H3,(H,30,36)InChIKey
DBURYCDYTXWIML-UHFFFAOYSA-NSynonyms
110208008
InChI=1SC29H28N2O9c115923(34)27(29(37)31(15)65163421(32)22(33)1016)18(1326(35)382)191117122425(40873924)1420(17)3028(19)36h3491214183234H5813H212H3(H3036)
methyl3(1(2(34dihydroxyphenyl)ethyl)4hydroxy6methyl2oxo12dihydropyridin3yl)3(7hydroxy23dihydro(14)dioxino(23g)quinolin8yl)propanoate
methyl3(1(2(34dihydroxyphenyl)ethyl)4hydroxy6methyl2oxopyridin3yl)3(7oxo36dihydro2~(H)(14)dioxino(23g)quinolin8yl)propanoate
MFCD31756671
ZINC000253623652
ZINC000253623653
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