Vitas-M small molecule compound
(4Z)-5-(4-methoxyphenyl)-4-(4-nitrobenzylidene)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK143105
SMILES COc1ccc(cc1)C1=NN(C(=O)/C/1=C\c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
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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 C23H16N4O6 MW 444.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N4O6/c1-33-20-12-4-16(5-13-20)22-21(14-15-2-6-18(7-3-15)26(29)30)23(28)25(24-22)17-8-10-19(11-9-17)27(31)32/h2-14H,1H3/b21-14-InChIKey
QOOTZLYGDYDHFK-STZFKDTASA-NSynonyms
(4Z)5(4METHOXYPHENYL)2(4NITROPHENYL)4((4NITROPHENYL)METHYLIDENE)PYRAZOL3ONE
(4Z)5(4METHOXYPHENYL)4(4NITROBENZYLIDENE)2(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
(E)3(4methoxyphenyl)4(4nitrobenzylidene)1(4nitrophenyl)1Hpyrazol5(4H)one
COC1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1)C1=NN(C(=O)C1=Cc1ccc(cc1)(N+)(=O)(O))c1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H16N4O6c1332012416(51320)2221(14152618(7315)26(29)30)23(28)25(2422)1781019(11917)27(31)32h214H1H3b2114
MFCD08679310
ZINC000013645616
ZINC13645616
Check stock
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Check stock on Vitas-MAvailable files
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