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-(5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-6-yl)propanoate
Catalog ID
STL550233
SMILES COC(=O)CC(c1cc2cccc3c2n(c1=O)CCC3)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 C27H28N4O5 MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O5/c1-16-11-22(32)24(27(35)30(16)10-8-19-14-28-15-29-19)20(13-23(33)36-2)21-12-18-6-3-5-17-7-4-9-31(25(17)18)26(21)34/h3,5-6,11-12,14-15,20,35H,4,7-10,13H2,1-2H3,(H,28,29)InChIKey
LEQOYMULFBTNAV-UHFFFAOYSA-NSynonyms
InChI=1SC27H28N4O5c1161122(32)24(27(35)30(16)108191428152919)20(1323(33)362)2112186351774931(25(17)18)26(21)34h356111214152035H471013H212H3(H2829)
methyl3(2hydroxy1(2(1Himidazol4yl)ethyl)6methyl4oxo14dihydropyridin3yl)3(5oxo23dihydro1H5Hpyrido(321ij)quinolin6yl)propanoate
MFCD31757468
ZINC000888089856
ZINC000888089857
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