Vitas-M small molecule compound
methyl 3-{2-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-6-methyl-4-oxo-1,4-dihydropyridin-3-yl}-3-(6-nitro-1,3-benzodioxol-5-yl)propanoate
Catalog ID
STL567396
SMILES COC(=O)CC(c1cc2OCOc2cc1[N+](=O)[O-])c1c(=O)cc(n(c1O)CCc1c[nH]cn1)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 C22H22N4O8 MW 470.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O8/c1-12-5-17(27)21(22(29)25(12)4-3-13-9-23-10-24-13)15(7-20(28)32-2)14-6-18-19(34-11-33-18)8-16(14)26(30)31/h5-6,8-10,15,29H,3-4,7,11H2,1-2H3,(H,23,24)InChIKey
VOBQIDJHSAEFAW-UHFFFAOYSA-NSynonyms
methyl3(2hydroxy1(2(1Himidazol4yl)ethyl)6methyl4oxo14dihydropyridin3yl)3(6nitro13benzodioxol5yl)propanoate
MFCD32652623
ZINC001848443885
ZINC001848443886
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