Vitas-M small molecule compound
(5E)-1-(4-methylphenyl)-2,6-dioxo-5-{1-[(pyridinium-3-ylmethyl)amino]propylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL049967
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)[O-])/NCc1ccc[nH+]c1
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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 C20H20N4O3 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3/c1-3-16(22-12-14-5-4-10-21-11-14)17-18(25)23-20(27)24(19(17)26)15-8-6-13(2)7-9-15/h4-11,22H,3,12H2,1-2H3,(H,23,25,27)/b17-16+InChIKey
NQOBZEIKVNHRHO-WUKNDPDISA-NSynonyms
(5E)1(4methylphenyl)26dioxo5(1((pyridinium3ylmethyl)amino)propylidene)1256tetrahydropyrimidin4olate
(5E)1(4METHYLPHENYL)5(1(PYRIDIN3YLMETHYLAMINO)PROPYLIDENE)13DIAZINANE246TRIONE
5(1((PYRIDIN3YLMETHYL)AMINO)PROP(E)YLIDENE)1PTOLYLPYRIMIDINE246TRIONE
CCC(=C1C(=NC(=O)N(C1=O)c1ccc(cc1)C)(O))NCc1ccc(nH+)c1
CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)C)NCC3=CN=CC=C3
InChI=1SC20H20N4O3c1316(2212145410211114)1718(25)2320(27)24(19(17)26)158613(2)7915h41122H312H212H3(H232527)b1716+
MFCD18249305
ZINC000020332979
ZINC20332979
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