Vitas-M small molecule compound

(4Z)-4-[2-(3-bromo-4-methylphenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK068684
SMILES O=C1/C(=N\Nc2ccc(c(c2)Br)C)/C(=NN1c1ccccc1)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/c1-14-7-10-16(13-19(14)23)24-25-21-20(15-8-11-18(12-9-15)28(30)31)26-27(22(21)29)17-5-3-2-4-6-17/h2-13,24H,1H3/b25-21-
InChIKey
GSDDWSXZBXZBNE-DAFNUICNSA-N
Synonyms

(4Z)4((3BROMO4METHYLPHENYL)HYDRAZINYLIDENE)5(4NITROPHENYL)2PHENYLPYRAZOL3ONE
(4Z)4(2(3BROMO4METHYLPHENYL)HYDRAZINYLIDENE)5(4NITROPHENYL)2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=C(C=C(C=C1)NN=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O))Br
InChI=1SC22H16BrN5O3c11471016(1319(14)23)24252120(1581118(12915)28(30)31)2627(22(21)29)175324617h21324H1H3b2521
MFCD01078986
O=C1C(=NNc2ccc(c(c2)Br)C)C(=NN1c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
STK068684
ZINC000012275821
ZINC100005745

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Available files

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