Vitas-M small molecule compound

ethyl 4-methyl-2-(3-nitrophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Catalog ID
STK229335
SMILES CCOC(=O)C1=C(C)n2c(NC1c1cccc(c1)[N+](=O)[O-])nc1c2cccc1

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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 C20H18N4O4 MW 378.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4/c1-3-28-19(25)17-12(2)23-16-10-5-4-9-15(16)21-20(23)22-18(17)13-7-6-8-14(11-13)24(26)27/h4-11,18H,3H2,1-2H3,(H,21,22)
InChIKey
WBDZUOVIKQIGJL-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)n2c(NC1c1cccc(c1)(N+)(=O)(O))nc1c2cccc1
CCOC(=O)C1=C(N2C3=CC=CC=C3NC2=NC1C4=CC(=CC=C4)(N+)(=O)(O))C
ETHYL4METHYL2(3NITROPHENYL)125TRIHYDROPYRIMIDINO(12A)BENZIMIDAZOLE3CARBOXYLATE
ethyl4methyl2(3nitrophenyl)12dihydropyrimido(12a)benzimidazole3carboxylate
ETHYL4METHYL2(3NITROPHENYL)210DIHYDROPYRIMIDO(12A)BENZIMIDAZOLE3CARBOXYLATE
InChI=1SC20H18N4O4c132819(25)1712(2)23161054915(16)2120(23)2218(17)1376814(1113)24(26)27h41118H3H212H3(H2122)
MFCD06090970
ZINC000013839089
ZINC000013839092

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Available files

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