Vitas-M small molecule compound
(4E)-4-{3-methoxy-2-[(4-nitrobenzyl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK112805
SMILES COc1cccc(c1OCc1ccc(cc1)[N+](=O)[O-])/C=C/1\C(=NN(C1=O)c1ccccc1)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 C25H21N3O5 MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O5/c1-17-22(25(29)27(26-17)20-8-4-3-5-9-20)15-19-7-6-10-23(32-2)24(19)33-16-18-11-13-21(14-12-18)28(30)31/h3-15H,16H2,1-2H3/b22-15+InChIKey
NYSOXCBFONKQLW-PXLXIMEGSA-NSynonyms
(4E)4((3METHOXY2((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(3METHOXY2((4NITROBENZYL)OXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=C(C(=CC=C2)OC)OCC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4
COc1cccc(c1OCc1ccc(cc1)(N+)(=O)(O))C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC25H21N3O5c11722(25(29)27(2617)208435920)1519761023(322)24(19)331618111321(141218)28(30)31h315H16H212H3b2215+
MFCD03721473
ZINC000100319622
ZINC100319622
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