Vitas-M small molecule compound
3-(butan-2-yl)-11-(4-chloro-3-nitrophenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990596
SMILES CCC(n1cnc2c(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/c1-3-12(2)27-11-24-20-18(22(27)30)19-21(26-16-7-5-4-6-15(16)25-19)28(20)13-8-9-14(23)17(10-13)29(31)32/h4-12H,3H2,1-2H3InChIKey
GYXVHJIRCCRLEK-UHFFFAOYSA-NSynonyms
846581-01-93(butan2yl)11(4chloro3nitrophenyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(secbutyl)11(4chloro3nitrophenyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
846581019
CCC(C)N1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)Cl)(N+)(=O)(O)
CCC(n1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)(N+)(=O)(O))Cl)C
InChI=1SC22H17ClN6O3c1312(2)2711242018(22(27)30)1921(2616754615(16)2519)28(20)138914(23)17(1013)29(31)32h412H3H212H3
MFCD04175239
ZINC000009111600
ZINC000009111601
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