Vitas-M small molecule compound

5-bromo-2-(5-{(E)-[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid

Catalog ID
STL381988
SMILES Fc1ccc(cc1)N1N=C(/C(=C\c2ccc(o2)c2ccc(cc2C(=O)O)Br)/C1=O)C

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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 C22H14BrFN2O4 MW 469.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14BrFN2O4/c1-12-18(21(27)26(25-12)15-5-3-14(24)4-6-15)11-16-7-9-20(30-16)17-8-2-13(23)10-19(17)22(28)29/h2-11H,1H3,(H,28,29)/b18-11+
InChIKey
TXTFTRGPHKSTDH-WOJGMQOQSA-N
Synonyms

5bromo2(5((E)(1(4fluorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoicacid
5bromo2(5((E)(1(4fluorophenyl)3methyl5oxopyrazol4ylidene)methyl)furan2yl)benzoicacid
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=C(C=C(C=C3)Br)C(=O)O)C4=CC=C(C=C4)F
Fc1ccc(cc1)N1N=C(C(=Cc2ccc(o2)c2ccc(cc2C(=O)O)Br)C1=O)C
InChI=1SC22H14BrFN2O4c11218(21(27)26(2512)155314(24)4615)11167920(3016)178213(23)1019(17)22(28)29h211H1H3(H2829)b1811+
MFCD28951677
ZINC000105982870
ZINC105982870

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Available files

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