Vitas-M small molecule compound
2-methoxyethyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Catalog ID
STK226963
SMILES COCCOC(=O)C1=C(C)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 C21H20N4O5 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5/c1-13-18(20(26)30-11-10-29-2)19(14-6-5-7-15(12-14)25(27)28)24-17-9-4-3-8-16(17)23-21(24)22-13/h3-9,12,19H,10-11H2,1-2H3,(H,22,23)InChIKey
GXIMPRFJKKHUHY-UHFFFAOYSA-NSynonyms
2METHOXYETHYL2METHYL4(3NITROPHENYL)145TRIHYDROPYRIMIDINO(12A)BENZIMIDAZOLE3CARBOXYLATE
2METHOXYETHYL2METHYL4(3NITROPHENYL)14DIHYDROPYRIMIDO(12A)BENZIMIDAZOLE3CARBOXYLATE
4(3NITROPHENYL)2METHYL14DIHYDROPYRIMIDO(12A)BENZIMIDAZOLE3CARBOXYLICACID2METHOXYETHYLESTER
CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCCOC
COCCOC(=O)C1=C(C)Nc2n(C1c1cccc(c1)(N+)(=O)(O))c1ccccc1n2
InChI=1SC21H20N4O5c11318(20(26)301110292)19(1465715(1214)25(27)28)2417943816(17)2321(24)2213h391219H1011H212H3(H2223)
MFCD08076288
ZINC000004731480
ZINC000004731481
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