Vitas-M small molecule compound
3-(butan-2-yl)-11-(4-fluoro-3-nitrophenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL050119
SMILES CCC(n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)[N+](=O)[O-])F)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 C23H19FN6O3 MW 446.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19FN6O3/c1-4-12(2)28-13(3)25-21-19(23(28)31)20-22(27-17-8-6-5-7-16(17)26-20)29(21)14-9-10-15(24)18(11-14)30(32)33/h5-12H,4H2,1-3H3InChIKey
NTZGNENQBYWQER-UHFFFAOYSA-NSynonyms
846594-77-23(butan2yl)11(4fluoro3nitrophenyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(secbutyl)11(4fluoro3nitrophenyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
846594772
CCC(C)N1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)F)(N+)(=O)(O))C
CCC(n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)(N+)(=O)(O))F)C
InChI=1SC23H19FN6O3c1412(2)2813(3)252119(23(28)31)2022(2717865716(17)2620)29(21)1491015(24)18(1114)30(32)33h512H4H213H3
MFCD04176447
ZINC000002404426
ZINC000002404427
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