Vitas-M small molecule compound
(4E)-4-[2-(3-bromo-4-methylphenyl)hydrazinylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK060288
SMILES O=C1N(N=C(/C/1=N\Nc1ccc(c(c1)Br)C)c1ccccc1)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 C22H16BrN5O3 MW 478.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN5O3/c1-14-7-8-16(13-19(14)23)24-25-21-20(15-5-3-2-4-6-15)26-27(22(21)29)17-9-11-18(12-10-17)28(30)31/h2-13,24H,1H3/b25-21+InChIKey
YWDPHZXXSKFCAN-NJNXFGOHSA-NSynonyms
(4E)4((3BROMO4METHYLPHENYL)HYDRAZINYLIDENE)2(4NITROPHENYL)5PHENYLPYRAZOL3ONE
(4E)4(2(3BROMO4METHYLPHENYL)HYDRAZINYLIDENE)2(4NITROPHENYL)5PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=C(C=C(C=C1)NN=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4)Br
InChI=1SC22H16BrN5O3c1147816(1319(14)23)24252120(155324615)2627(22(21)29)1791118(121017)28(30)31h21324H1H3b2521+
MFCD01418827
O=C1N(N=C(C1=NNc1ccc(c(c1)Br)C)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
STK060288
ZINC000018115914
ZINC100532628
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