Vitas-M small molecule compound
(4E)-4-[2-(2,6-dichlorophenyl)hydrazinylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK066588
SMILES O=C1/C(=N/Nc2c(Cl)cccc2Cl)/C(=NN1c1ccc(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 C21H13Cl2N5O3 MW 454.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13Cl2N5O3/c22-16-7-4-8-17(23)19(16)24-25-20-18(13-5-2-1-3-6-13)26-27(21(20)29)14-9-11-15(12-10-14)28(30)31/h1-12,24H/b25-20+InChIKey
STMUZFAJUREUBO-LKUDQCMESA-NSynonyms
(4E)4((26DICHLOROPHENYL)HYDRAZINYLIDENE)2(4NITROPHENYL)5PHENYLPYRAZOL3ONE
(4E)4(2(26DICHLOROPHENYL)HYDRAZINYLIDENE)2(4NITROPHENYL)5PHENYL24DIHYDRO3HPYRAZOL3ONE
C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=C(C=CC=C3Cl)Cl)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H13Cl2N5O3c221674817(23)19(16)24252018(135213613)2627(21(20)29)1491115(121014)28(30)31h11224Hb2520+
MFCD01418821
O=C1C(=NNc2c(Cl)cccc2Cl)C(=NN1c1ccc(cc1)(N+)(=O)(O))c1ccccc1
STK066588
ZINC000100006010
ZINC08935241
ZINC8935241
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