Vitas-M small molecule compound
methyl (2Z)-2-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK516476
SMILES COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(nc1c1ccc(c(c1)F)C)c1ccccc1)/O2
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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 C27H19FN2O4 MW 454.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19FN2O4/c1-16-8-9-17(13-22(16)28)25-19(15-30(29-25)20-6-4-3-5-7-20)14-24-26(31)21-12-18(27(32)33-2)10-11-23(21)34-24/h3-15H,1-2H3/b24-14-InChIKey
UXQNBUVZNSLPHO-OYKKKHCWSA-NSynonyms
CC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5)F
COC(=O)c1ccc2c(c1)C(=O)C(=Cc1cn(nc1c1ccc(c(c1)F)C)c1ccccc1)O2
InChI=1SC27H19FN2O4c1168917(1322(16)28)2519(1530(2925)206435720)142426(31)211218(27(32)332)101123(21)3424h315H12H3b2414
methyl(2Z)2((3(3fluoro4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
methyl(2Z)2((3(3fluoro4methylphenyl)1phenylpyrazol4yl)methylidene)3oxo1benzofuran5carboxylate
MFCD06645668
ZINC000016742333
ZINC16742333
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