Vitas-M small molecule compound
ethyl 4-(2-nitrophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Catalog ID
STK229770
SMILES CCCC1=C(C(=O)OCC)C(n2c(N1)nc1c2cccc1)c1ccccc1[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 C22H22N4O4 MW 406.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4/c1-3-9-16-19(21(27)30-4-2)20(14-10-5-7-12-17(14)26(28)29)25-18-13-8-6-11-15(18)23-22(25)24-16/h5-8,10-13,20H,3-4,9H2,1-2H3,(H,23,24)InChIKey
NEDFKRXISSHORK-UHFFFAOYSA-NSynonyms
CCCC1=C(C(=O)OCC)C(n2c(N1)nc1c2cccc1)c1ccccc1(N+)(=O)(O)
CCCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=CC=C4(N+)(=O)(O))C(=O)OCC
ETHYL4(2NITROPHENYL)2PROPYL145TRIHYDROPYRIMIDINO(12A)BENZIMIDAZOLE3CARBOXYLATE
ETHYL4(2NITROPHENYL)2PROPYL14DIHYDROPYRIMIDO(12A)BENZIMIDAZOLE3CARBOXYLATE
InChI=1SC22H22N4O4c1391619(21(27)3042)20(1410571217(14)26(28)29)251813861115(18)2322(25)2416h58101320H349H212H3(H2324)
MFCD07469872
ZINC000004735585
ZINC000004735586
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