Vitas-M small molecule compound

11-(4-chloro-3-nitrophenyl)-2-methyl-3-(2-methylpropyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

Catalog ID
STK714175
SMILES CC(Cn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)[N+](=O)[O-])Cl)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 C23H19ClN6O3 MW 462.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN6O3/c1-12(2)11-28-13(3)25-21-19(23(28)31)20-22(27-17-7-5-4-6-16(17)26-20)29(21)14-8-9-15(24)18(10-14)30(32)33/h4-10,12H,11H2,1-3H3
InChIKey
XHTRQQHFRNBYTA-UHFFFAOYSA-N
Synonyms
799829-32-6
11(4chloro3nitrophenyl)2methyl3(2methylpropyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(4chloro3nitrophenyl)3isobutyl2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
799829326
CC(Cn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)(N+)(=O)(O))Cl)C
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)Cl)(N+)(=O)(O))C(=O)N1CC(C)C
InChI=1SC23H19ClN6O3c112(2)112813(3)252119(23(28)31)2022(2717754616(17)2620)29(21)148915(24)18(1014)30(32)33h41012H11H213H3
MFCD03683928
ZINC000002245173
ZINC02245173
ZINC2245173

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Available files

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