Vitas-M small molecule compound
propan-2-yl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Catalog ID
STK225069
SMILES CC(OC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)[N+](=O)[O-])c1ccccc1n2)C
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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 C21H20N4O4 MW 392.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4/c1-12(2)29-20(26)18-13(3)22-21-23-16-6-4-5-7-17(16)24(21)19(18)14-8-10-15(11-9-14)25(27)28/h4-12,19H,1-3H3,(H,22,23)InChIKey
JGAUQBDIDDUXMY-UHFFFAOYSA-NSynonyms
CC(OC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)(N+)(=O)(O))c1ccccc1n2)C
CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OC(C)C
InChI=1SC21H20N4O4c112(2)2920(26)1813(3)22212316645717(16)24(21)19(18)1481015(11914)25(27)28h41219H13H3(H2223)
METHYLETHYL2METHYL4(4NITROPHENYL)145TRIHYDROPYRIMIDINO(12A)BENZIMIDAZOLE3CARBOXYLATE
MFCD08076260
PROPAN2YL2METHYL4(4NITROPHENYL)14DIHYDROPYRIMIDO(12A)BENZIMIDAZOLE3CARBOXYLATE
ZINC000004742025
ZINC000004742026
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