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-(propan-2-yloxy)phenyl]propanoate
Catalog ID
STL545959
SMILES COC(=O)CC(c1c(=O)cc(n(c1O)CCc1ccc(c(c1)O)O)C)c1ccc(cc1)OC(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 C27H31NO7 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO7/c1-16(2)35-20-8-6-19(7-9-20)21(15-25(32)34-4)26-24(31)13-17(3)28(27(26)33)12-11-18-5-10-22(29)23(30)14-18/h5-10,13-14,16,21,29-30,33H,11-12,15H2,1-4H3InChIKey
SQQGONBMFHZUOF-UHFFFAOYSA-NSynonyms
InChI=1SC27H31NO7c116(2)35208619(7920)21(1525(32)344)2624(31)1317(3)28(27(26)33)12111851022(29)23(30)1418h51013141621293033H111215H214H3
methyl3(1(2(34dihydroxyphenyl)ethyl)2hydroxy6methyl4oxo14dihydropyridin3yl)3(4(propan2yloxy)phenyl)propanoate
MFCD31756328
ZINC000409414310
ZINC000409414314
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