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-(1-methyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL547707
SMILES COC(=O)CC(c1c(=O)cc(n(c1O)CCc1ccc(c(c1)O)O)C)c1cnn(c1)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 C22H25N3O6 MW 427.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O6/c1-13-8-19(28)21(16(10-20(29)31-3)15-11-23-24(2)12-15)22(30)25(13)7-6-14-4-5-17(26)18(27)9-14/h4-5,8-9,11-12,16,26-27,30H,6-7,10H2,1-3H3InChIKey
MNMDQDCSTHGIKC-UHFFFAOYSA-NSynonyms
InChI=1SC22H25N3O6c113819(28)21(16(1020(29)313)15112324(2)1215)22(30)25(13)76144517(26)18(27)914h4589111216262730H6710H213H3
methyl3(1(2(34dihydroxyphenyl)ethyl)2hydroxy6methyl4oxo14dihydropyridin3yl)3(1methyl1Hpyrazol4yl)propanoate
MFCD31756625
ZINC000409414056
ZINC000409414057
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