Vitas-M small molecule compound

methyl 5-[3-amino-1-(4-hydroxyphenyl)-3-oxopropyl]-4,6-dihydroxypyridine-3-carboxylate

Catalog ID
STL544102
SMILES COC(=O)c1cnc(c(c1O)C(c1ccc(cc1)O)CC(=O)N)O

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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 C16H16N2O6 MW 332.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O6/c1-24-16(23)11-7-18-15(22)13(14(11)21)10(6-12(17)20)8-2-4-9(19)5-3-8/h2-5,7,10,19H,6H2,1H3,(H2,17,20)(H2,18,21,22)
InChIKey
IDSCMZYOGIZZBI-UHFFFAOYSA-N
Synonyms

110206917
InChI=1SC16H16N2O6c12416(23)1171815(22)13(14(11)21)10(612(17)20)8249(19)538h2571019H6H21H3(H21720)(H2182122)
methyl5(3amino1(4hydroxyphenyl)3oxopropyl)46dihydroxypyridine3carboxylate
methyl5(3amino1(4hydroxyphenyl)3oxopropyl)4hydroxy6oxo1~(H)pyridine3carboxylate
METHYL5(3AMINO1(4HYDROXYPHENYL)3OXOPROPYL)4HYDROXY6OXO16DIHYDROPYRIDINE3CARBOXYLATE
MFCD31755978
ZINC000253623706
ZINC000253623707

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.