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-[(2-methylprop-2-en-1-yl)oxy]phenyl}propanoate
Catalog ID
STL547321
SMILES COC(=O)CC(c1c(=O)cc(n(c1O)CCc1ccc(c(c1)O)O)C)c1ccc(cc1)OCC(=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 C28H31NO7 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO7/c1-17(2)16-36-21-8-6-20(7-9-21)22(15-26(33)35-4)27-25(32)13-18(3)29(28(27)34)12-11-19-5-10-23(30)24(31)14-19/h5-10,13-14,22,30-31,34H,1,11-12,15-16H2,2-4H3InChIKey
MTEFWSRFMHQYEP-UHFFFAOYSA-NSynonyms
InChI=1SC28H31NO7c117(2)1636218620(7921)22(1526(33)354)2725(32)1318(3)29(28(27)34)12111951023(30)24(31)1419h510131422303134H111121516H224H3
methyl3(1(2(34dihydroxyphenyl)ethyl)2hydroxy6methyl4oxo14dihydropyridin3yl)3(4((2methylprop2en1yl)oxy)phenyl)propanoate
MFCD31756547
ZINC000409414058
ZINC000409414061
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