Vitas-M small molecule compound

(4Z)-2-(4-bromophenyl)-4-{2,3-dibromo-4-[(2-chlorobenzyl)oxy]-5-methoxybenzylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL171866
SMILES COc1cc(/C=C\2/C(=NN(C2=O)c2ccc(cc2)Br)C)c(c(c1OCc1ccccc1Cl)Br)Br

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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 C25H18Br3ClN2O3 MW 669.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18Br3ClN2O3/c1-14-19(25(32)31(30-14)18-9-7-17(26)8-10-18)11-16-12-21(33-2)24(23(28)22(16)27)34-13-15-5-3-4-6-20(15)29/h3-12H,13H2,1-2H3/b19-11-
InChIKey
XDVYJIHGEXYGJS-ODLFYWEKSA-N
Synonyms
355002-99-2
(4Z)2(4BROMOPHENYL)4((23DIBROMO4((2CHLOROPHENYL)METHOXY)5METHOXYPHENYL)METHYLIDENE)5METHYLPYRAZOL3ONE
(4Z)2(4bromophenyl)4(23dibromo4((2chlorobenzyl)oxy)5methoxybenzylidene)5methyl24dihydro3Hpyrazol3one
2(4BROMOPHENYL)4(23DIBROMO4((2CHLOROBENZYL)OXY)5METHOXYBENZYLIDENE)5METHYL24DIHYDRO3HPYRAZOL3ONE
355002992
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2Br)Br)OCC3=CC=CC=C3Cl)OC)C4=CC=C(C=C4)Br
COc1cc(C=C2C(=NN(C2=O)c2ccc(cc2)Br)C)c(c(c1OCc1ccccc1Cl)Br)Br
InChI=1SC25H18Br3ClN2O3c11419(25(32)31(3014)189717(26)81018)11161221(332)24(23(28)22(16)27)341315534620(15)29h312H13H212H3b1911
MFCD01835471
ZINC000008443666
ZINC08443666
ZINC8443666

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Available files

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