Vitas-M small molecule compound
(4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK847604
SMILES CC(=C)COc1ccc(cc1/C=C/1\C(=NN(C1=O)c1ccccc1)C)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 C21H19BrN2O2 MW 411.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O2/c1-14(2)13-26-20-10-9-17(22)11-16(20)12-19-15(3)23-24(21(19)25)18-7-5-4-6-8-18/h4-12H,1,13H2,2-3H3/b19-12+InChIKey
IUBKJKNYQQPXPB-XDHOZWIPSA-NSynonyms
496040-74-5(4E)4((5BROMO2(2METHYLPROP2ENOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(5bromo2((2methylprop2en1yl)oxy)benzylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(E)4(5bromo2((2methylallyl)oxy)benzylidene)3methyl1phenyl1Hpyrazol5(4H)one
4((5BROMO2(2METHYLPROP2ENYLOXY)PHENYL)METHYLENE)3METHYL1PHENYL12DIAZOLIN5ONE
496040745
CC(=C)COc1ccc(cc1C=C1C(=NN(C1=O)c1ccccc1)C)Br
CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCC(=C)C)C3=CC=CC=C3
InChI=1SC21H19BrN2O2c114(2)13262010917(22)1116(20)121915(3)2324(21(19)25)187546818h412H113H223H3b1912+
MFCD03622056
ZINC000033313199
ZINC33313199
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