Vitas-M small molecule compound
ethyl 4-(3-nitrophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Catalog ID
STK229766
SMILES CCOC(=O)C1=C(CCC)Nc2n(C1c1cccc(c1)[N+](=O)[O-])c1ccccc1n2
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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/c1-3-8-17-19(21(27)30-4-2)20(14-9-7-10-15(13-14)26(28)29)25-18-12-6-5-11-16(18)23-22(25)24-17/h5-7,9-13,20H,3-4,8H2,1-2H3,(H,23,24)InChIKey
SZACMFSBLXVPSN-UHFFFAOYSA-NSynonyms
CCCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCC
CCOC(=O)C1=C(CCC)Nc2n(C1c1cccc(c1)(N+)(=O)(O))c1ccccc1n2
ETHYL4(3NITROPHENYL)2PROPYL145TRIHYDROPYRIMIDINO(12A)BENZIMIDAZOLE3CARBOXYLATE
ETHYL4(3NITROPHENYL)2PROPYL14DIHYDROPYRIMIDO(12A)BENZIMIDAZOLE3CARBOXYLATE
InChI=1SC22H22N4O4c1381719(21(27)3042)20(14971015(1314)26(28)29)251812651116(18)2322(25)2417h5791320H348H212H3(H2324)
MFCD07469868
ZINC000004735574
ZINC000004735575
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