Vitas-M small molecule compound
benzyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Catalog ID
STL191355
SMILES CC1=C(C(=O)OCc2ccccc2)C(n2c(N1)nc1c2cccc1)c1ccc(cc1)[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 C25H20N4O4 MW 440.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O4/c1-16-22(24(30)33-15-17-7-3-2-4-8-17)23(18-11-13-19(14-12-18)29(31)32)28-21-10-6-5-9-20(21)27-25(28)26-16/h2-14,23H,15H2,1H3,(H,26,27)InChIKey
OZDXTCMMGYSYAZ-UHFFFAOYSA-NSynonyms
benzyl2methyl4(4nitrophenyl)14dihydropyrimido(12a)benzimidazole3carboxylate
CC1=C(C(=O)OCc2ccccc2)C(n2c(N1)nc1c2cccc1)c1ccc(cc1)(N+)(=O)(O)
CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OCC5=CC=CC=C5
InChI=1SC25H20N4O4c11622(24(30)3315177324817)23(18111319(141218)29(31)32)28211065920(21)2725(28)2616h21423H15H21H3(H2627)
MFCD14770127
ZINC000020281757
ZINC000020281762
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