Vitas-M small molecule compound

(4E)-4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK071801
SMILES O=C1/C(=N/Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-])/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 C21H12Cl2N6O5 MW 499.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12Cl2N6O5/c22-16-10-15(29(33)34)11-17(23)19(16)24-25-20-18(12-4-2-1-3-5-12)26-27(21(20)30)13-6-8-14(9-7-13)28(31)32/h1-11,24H/b25-20+
InChIKey
WAJGMDFUYQUYHN-LKUDQCMESA-N
Synonyms

(4E)4((26DICHLORO4NITROPHENYL)HYDRAZINYLIDENE)2(4NITROPHENYL)5PHENYLPYRAZOL3ONE
(4E)4(2(26DICHLORO4NITROPHENYL)HYDRAZINYLIDENE)2(4NITROPHENYL)5PHENYL24DIHYDRO3HPYRAZOL3ONE
C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=C(C=C(C=C3Cl)(N+)(=O)(O))Cl)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H12Cl2N6O5c22161015(29(33)34)1117(23)19(16)24252018(124213512)2627(21(20)30)136814(9713)28(31)32h11124Hb2520+
MFCD01418833
O=C1C(=NNc2c(Cl)cc(cc2Cl)(N+)(=O)(O))C(=NN1c1ccc(cc1)(N+)(=O)(O))c1ccccc1
STK071801
ZINC000096488903
ZINC08925906
ZINC8925906

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Available files

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