Vitas-M small molecule compound
4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenyl-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK333392
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1C2=C(CCCC2=O)Nc2c1c(=O)n([nH]2)c1ccccc1
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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 C23H20N4O6 MW 448.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O6/c1-33-17-11-12(10-15(21(17)29)27(31)32)18-19-14(8-5-9-16(19)28)24-22-20(18)23(30)26(25-22)13-6-3-2-4-7-13/h2-4,6-7,10-11,18,24-25,29H,5,8-9H2,1H3InChIKey
XSBNEOCAFZWVOC-UHFFFAOYSA-NSynonyms
4(4hydroxy3methoxy5nitrophenyl)2phenyl146789hexahydropyrazolo(34b)quinoline35dione
4(4hydroxy3methoxy5nitrophenyl)2phenyl4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
COC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CCCC3=O)NC4=C2C(=O)N(N4)C5=CC=CC=C5
COc1cc(cc(c1O)(N+)(=O)(O))C1C2=C(CCCC2=O)Nc2c1c(=O)n((nH)2)c1ccccc1
InChI=1SC23H20N4O6c133171112(1015(21(17)29)27(31)32)181914(85916(19)28)242220(18)23(30)26(2522)136324713h2467101118242529H589H21H3
MFCD09963021
ZINC000018195745
ZINC000018195747
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