Vitas-M small molecule compound
4-(2-hydroxy-5-nitrophenyl)-2-phenyl-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK333472
SMILES O=C1CCCC2=C1C(c1cc(ccc1O)[N+](=O)[O-])c1c(N2)[nH]n(c1=O)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 C22H18N4O5 MW 418.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O5/c27-16-10-9-13(26(30)31)11-14(16)18-19-15(7-4-8-17(19)28)23-21-20(18)22(29)25(24-21)12-5-2-1-3-6-12/h1-3,5-6,9-11,18,23-24,27H,4,7-8H2InChIKey
SDQFXHQCWWIPBX-UHFFFAOYSA-NSynonyms
669725-47-74(2hydroxy5nitrophenyl)2phenyl146789hexahydropyrazolo(34b)quinoline35dione
4(2hydroxy5nitrophenyl)2phenyl4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
669725477
C1CC2=C(C(C3=C(N2)NN(C3=O)C4=CC=CC=C4)C5=C(C=CC(=C5)(N+)(=O)(O))O)C(=O)C1
InChI=1SC22H18N4O5c271610913(26(30)31)1114(16)181915(74817(19)28)232120(18)22(29)25(2421)125213612h135691118232427H478H2
MFCD09963089
O=C1CCCC2=C1C(c1cc(ccc1O)(N+)(=O)(O))c1c(N2)(nH)n(c1=O)c1ccccc1
ZINC000102046437
ZINC000102046443
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