Vitas-M small molecule compound
(4Z)-4-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-methoxybenzylidene}-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL172372
SMILES COc1cc(/C=C\2/C(=NN(C2=O)c2cccc(c2)C(F)(F)F)C)cc(c1OCc1ccccc1Cl)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 C26H19BrClF3N2O3 MW 579.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19BrClF3N2O3/c1-15-20(25(34)33(32-15)19-8-5-7-18(13-19)26(29,30)31)10-16-11-21(27)24(23(12-16)35-2)36-14-17-6-3-4-9-22(17)28/h3-13H,14H2,1-2H3/b20-10-InChIKey
ASFRRUZHZYOWHR-JMIUGGIZSA-NSynonyms
445254-15-9(4Z)4((3bromo4((2chlorophenyl)methoxy)5methoxyphenyl)methylidene)5methyl2(3(trifluoromethyl)phenyl)pyrazol3one
(4Z)4(3bromo4((2chlorobenzyl)oxy)5methoxybenzylidene)5methyl2(3(trifluoromethyl)phenyl)24dihydro3Hpyrazol3one
445254159
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3Cl)OC)C4=CC=CC(=C4)C(F)(F)F
COc1cc(C=C2C(=NN(C2=O)c2cccc(c2)C(F)(F)F)C)cc(c1OCc1ccccc1Cl)Br
InChI=1SC26H19BrClF3N2O3c11520(25(34)33(3215)1985718(1319)26(2930)31)10161121(27)24(23(1216)352)361417634922(17)28h313H14H212H3b2010
MFCD02054529
ZINC000100319747
ZINC100319747
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