Vitas-M small molecule compound

(4E)-4-[2-(benzyloxy)-3,5-dibromobenzylidene]-5-methyl-2-(3-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL170988
SMILES Brc1cc(/C=C/2\C(=NN(C2=O)c2cccc(c2)C)C)c(c(c1)Br)OCc1ccccc1

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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 C25H20Br2N2O2 MW 540.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Br2N2O2/c1-16-7-6-10-21(11-16)29-25(30)22(17(2)28-29)13-19-12-20(26)14-23(27)24(19)31-15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3/b22-13+
InChIKey
HRNJJFXSKHMVNY-LPYMAVHISA-N
Synonyms

(4E)4((35DIBROMO2PHENYLMETHOXYPHENYL)METHYLIDENE)5METHYL2(3METHYLPHENYL)PYRAZOL3ONE
(4E)4(2(benzyloxy)35dibromobenzylidene)5methyl2(3methylphenyl)24dihydro3Hpyrazol3one
4(2(BENZYLOXY)35DIBROMOBENZYLIDENE)5METHYL2(3METHYLPHENYL)24DIHYDRO3HPYRAZOL3ONE
Brc1cc(C=C2C(=NN(C2=O)c2cccc(c2)C)C)c(c(c1)Br)OCc1ccccc1
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC(=CC(=C3OCC4=CC=CC=C4)Br)Br)C(=N2)C
InChI=1SC25H20Br2N2O2c116761021(1116)2925(30)22(17(2)2829)13191220(26)1423(27)24(19)3115188435918h314H15H212H3b2213+
MFCD01647782
ZINC000008431396
ZINC08431396
ZINC8431396

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Available files

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