Vitas-M small molecule compound
1,3-dimethyl-2,6-dioxo-5-{(1E)-N-[4-(pyridinium-4-ylmethyl)phenyl]propanimidoyl}-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL054155
SMILES CC/C(=N\c1ccc(cc1)Cc1cc[nH+]cc1)/c1c([O-])n(C)c(=O)n(c1=O)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 C21H22N4O3 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3/c1-4-17(18-19(26)24(2)21(28)25(3)20(18)27)23-16-7-5-14(6-8-16)13-15-9-11-22-12-10-15/h5-12,26H,4,13H2,1-3H3/b23-17+InChIKey
IRHASLOKJTZWAV-HAVVHWLPSA-NSynonyms
372506-51-913dimethyl26dioxo5((1E)N(4(pyridinium4ylmethyl)phenyl)propanimidoyl)1236tetrahydropyrimidin4olate
372506519
CCC(=Nc1ccc(cc1)Cc1cc(nH+)cc1)c1c((O))n(C)c(=O)n(c1=O)C
MFCD18249583
ZINC000102442976
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