Vitas-M small molecule compound

(4E)-4-[4-(benzyloxy)-2,3-dibromo-5-methoxybenzylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL171168
SMILES COc1cc(/C=C/2\C(=NN(C2=O)c2cccc(c2)C(F)(F)F)C)c(c(c1OCc1ccccc1)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 C26H19Br2F3N2O3 MW 624.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19Br2F3N2O3/c1-15-20(25(34)33(32-15)19-10-6-9-18(13-19)26(29,30)31)11-17-12-21(35-2)24(23(28)22(17)27)36-14-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3/b20-11+
InChIKey
VSSNWAAJMGXIRS-RGVLZGJSSA-N
Synonyms
353479-03-5
(4E)4((23DIBROMO5METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)5METHYL2(3(TRIFLUOROMETHYL)PHENYL)PYRAZOL3ONE
(4E)4(4(benzyloxy)23dibromo5methoxybenzylidene)5methyl2(3(trifluoromethyl)phenyl)24dihydro3Hpyrazol3one
353479035
4(4(BENZYLOXY)23DIBROMO5METHOXYBENZYLIDENE)5METHYL2(3(TRIFLUOROMETHYL)PHENYL)24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2Br)Br)OCC3=CC=CC=C3)OC)C4=CC=CC(=C4)C(F)(F)F
COc1cc(C=C2C(=NN(C2=O)c2cccc(c2)C(F)(F)F)C)c(c(c1OCc1ccccc1)Br)Br
InChI=1SC26H19Br2F3N2O3c11520(25(34)33(3215)19106918(1319)26(2930)31)11171221(352)24(23(28)22(17)27)3614167435816h313H14H212H3b2011+
MFCD01834541
ZINC000008431443
ZINC08431443
ZINC8431443

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Available files

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