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-{3-methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)oxy]phenyl}propanoate
Catalog ID
STL494022
SMILES COC(=O)CC(c1c(=O)cc(n(c1O)CCc1ccc(c(c1)O)O)C)c1ccc(c(c1)OC)Oc1nnnn1c1ccccc1
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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 C32H31N5O8 MW 613.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N5O8/c1-19-15-26(40)30(31(42)36(19)14-13-20-9-11-24(38)25(39)16-20)23(18-29(41)44-3)21-10-12-27(28(17-21)43-2)45-32-33-34-35-37(32)22-7-5-4-6-8-22/h4-12,15-17,23,38-39,42H,13-14,18H2,1-3H3InChIKey
KLFKWPAPPOQEDK-UHFFFAOYSA-NSynonyms
methyl3(1(2(34dihydroxyphenyl)ethyl)2hydroxy6methyl4oxo14dihydropyridin3yl)3(3methoxy4((1phenyl1Htetrazol5yl)oxy)phenyl)propanoate
MFCD30716141
ZINC000409413827
ZINC000409413831
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