Vitas-M small molecule compound
methyl 3-(7-chloro-4-hydroxy-2-oxo-2H-pyrido[1,2-a]pyrimidin-3-yl)-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanoate
Catalog ID
STL408932
SMILES COC(=O)CC(c1c(=O)nc2n(c1O)cc(cc2)Cl)c1ccc2c(c1)n(C)c(=O)n2C
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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 C21H19ClN4O5 MW 442.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O5/c1-24-14-6-4-11(8-15(14)25(2)21(24)30)13(9-17(27)31-3)18-19(28)23-16-7-5-12(22)10-26(16)20(18)29/h4-8,10,13,29H,9H2,1-3H3InChIKey
UWBDIGJMIUEXDE-UHFFFAOYSA-NSynonyms
CN1C2=C(C=C(C=C2)C(CC(=O)OC)C3=C(N4C=C(C=CC4=NC3=O)Cl)O)N(C1=O)C
InChI=1SC21H19ClN4O5c124146411(815(14)25(2)21(24)30)13(917(27)313)1819(28)23167512(22)1026(16)20(18)29h48101329H9H213H3
methyl3(7chloro4hydroxy2oxo2Hpyrido(12a)pyrimidin3yl)3(13dimethyl2oxo23dihydro1Hbenzimidazol5yl)propanoate
methyl3(7chloro4hydroxy2oxopyrido(12a)pyrimidin3yl)3(13dimethyl2oxobenzimidazol5yl)propanoate
MFCD30705456
ZINC000205969939
ZINC000205969959
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