Vitas-M small molecule compound
(4E)-4-(3-bromobenzylidene)-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL419938
SMILES Brc1cccc(c1)/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[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 C22H14BrN3O3 MW 448.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14BrN3O3/c23-17-8-4-5-15(13-17)14-20-21(16-6-2-1-3-7-16)24-25(22(20)27)18-9-11-19(12-10-18)26(28)29/h1-14H/b20-14+InChIKey
ZOPWXUBEVNWZIC-XSFVSMFZSA-NSynonyms
(4E)4((3bromophenyl)methylidene)2(4nitrophenyl)5phenylpyrazol3one
(4E)4(3bromobenzylidene)2(4nitrophenyl)5phenyl24dihydro3Hpyrazol3one
Brc1cccc(c1)C=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))c1ccccc1
C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CC(=CC=C3)Br)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H14BrN3O3c231784515(1317)142021(166213716)2425(22(20)27)1891119(121018)26(28)29h114Hb2014+
MFCD01831632
ZINC000252510702
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