Vitas-M small molecule compound
3-butyl-11-(4-chloro-3-nitrophenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK546218
SMILES CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)[N+](=O)[O-])Cl
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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/c1-2-3-10-27-12-24-20-18(22(27)30)19-21(26-16-7-5-4-6-15(16)25-19)28(20)13-8-9-14(23)17(11-13)29(31)32/h4-9,11-12H,2-3,10H2,1H3InChIKey
GVGMLBZPBVEISN-UHFFFAOYSA-NSynonyms
797798-69-73butyl11(4chloro3nitrophenyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3butyl11(4chloro3nitrophenyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
797798697
CCCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)Cl)(N+)(=O)(O)
CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC22H17ClN6O3c123102712242018(22(27)30)1921(2616754615(16)2519)28(20)138914(23)17(1113)29(31)32h491112H2310H21H3
MFCD03668223
ZINC000008997568
ZINC08997568
ZINC8997568
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