Vitas-M small molecule compound
5-({4-methyl-6-[methyl(phenyl)amino]-5-nitropyrimidin-2-yl}amino)-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL431694
SMILES O=c1[nH]c2c([nH]1)ccc(c2)Nc1nc(C)c(c(n1)N(c1ccccc1)C)[N+](=O)[O-]
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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 C19H17N7O3 MW 391.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N7O3/c1-11-16(26(28)29)17(25(2)13-6-4-3-5-7-13)24-18(20-11)21-12-8-9-14-15(10-12)23-19(27)22-14/h3-10H,1-2H3,(H,20,21,24)(H2,22,23,27)InChIKey
DYWMQLVSWLAETB-UHFFFAOYSA-NSynonyms
5((4methyl6(methyl(phenyl)amino)5nitropyrimidin2yl)amino)13dihydro2Hbenzimidazol2one
5((4METHYL6(NMETHYLANILINO)5NITROPYRIMIDIN2YL)AMINO)13DIHYDROBENZIMIDAZOL2ONE
CC1=C(C(=NC(=N1)NC2=CC3=C(C=C2)NC(=O)N3)N(C)C4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC19H17N7O3c11116(26(28)29)17(25(2)136435713)2418(2011)2112891415(1012)2319(27)2214h310H12H3(H202124)(H2222327)
MFCD00637547
O=c1(nH)c2c((nH)1)ccc(c2)Nc1nc(C)c(c(n1)N(c1ccccc1)C)(N+)(=O)(O)
ZINC000005005153
ZINC05005153
ZINC5005153
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