Vitas-M small molecule compound
3-{(4Z)-4-[5-bromo-2-(cyanomethoxy)benzylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STK398248
SMILES N#CCOc1ccc(cc1/C=C/1\C(=O)N(N=C1c1ccccc1)c1cccc(c1)C(=O)O)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 C25H16BrN3O4 MW 502.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16BrN3O4/c26-19-9-10-22(33-12-11-27)18(13-19)15-21-23(16-5-2-1-3-6-16)28-29(24(21)30)20-8-4-7-17(14-20)25(31)32/h1-10,13-15H,12H2,(H,31,32)/b21-15-InChIKey
WYQUIYBJWYOTJG-QNGOZBTKSA-NSynonyms
3((4Z)4((5bromo2(cyanomethoxy)phenyl)methylidene)5oxo3phenylpyrazol1yl)benzoicacid
3((4Z)4(5bromo2(cyanomethoxy)benzylidene)5oxo3phenyl45dihydro1Hpyrazol1yl)benzoicacid
C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=C(C=CC(=C3)Br)OCC#N)C4=CC=CC(=C4)C(=O)O
InChI=1SC25H16BrN3O4c261991022(33121127)18(1319)152123(165213616)2829(24(21)30)2084717(1420)25(31)32h1101315H12H2(H3132)b2115
MFCD02380185
N#CCOc1ccc(cc1C=C1C(=O)N(N=C1c1ccccc1)c1cccc(c1)C(=O)O)Br
ZINC000013914855
ZINC13914855
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