Vitas-M small molecule compound
11-(4-chloro-3-nitrophenyl)-3-(2-methylpropyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK714109
SMILES CC(Cn1cnc2c(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 C22H17ClN6O3 MW 448.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN6O3/c1-12(2)10-27-11-24-20-18(22(27)30)19-21(26-16-6-4-3-5-15(16)25-19)28(20)13-7-8-14(23)17(9-13)29(31)32/h3-9,11-12H,10H2,1-2H3InChIKey
KWTQOZNNGLWPLT-UHFFFAOYSA-NSynonyms
836652-39-211(4chloro3nitrophenyl)3(2methylpropyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(4chloro3nitrophenyl)3isobutyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
836652392
CC(C)CN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)Cl)(N+)(=O)(O)
CC(Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)(N+)(=O)(O))Cl)C
InChI=1SC22H17ClN6O3c112(2)102711242018(22(27)30)1921(2616643515(16)2519)28(20)137814(23)17(913)29(31)32h391112H10H212H3
MFCD03692514
ZINC000002254151
ZINC02254151
ZINC2254151
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