Vitas-M small molecule compound
methyl (2Z)-2-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819352
SMILES COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(nc1c1ccc(cc1)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 C27H20N2O4 MW 436.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O4/c1-17-8-10-18(11-9-17)25-20(16-29(28-25)21-6-4-3-5-7-21)15-24-26(30)22-14-19(27(31)32-2)12-13-23(22)33-24/h3-16H,1-2H3/b24-15-InChIKey
VJUIQCFHUDGWAP-IWIPYMOSSA-NSynonyms
CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5
COC(=O)c1ccc2c(c1)C(=O)C(=Cc1cn(nc1c1ccc(cc1)C)c1ccccc1)O2
InChI=1SC27H20N2O4c11781018(11917)2520(1629(2825)216435721)152426(30)221419(27(31)322)121323(22)3324h316H12H3b2415
methyl(2Z)2((3(4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
methyl(2Z)2((3(4methylphenyl)1phenylpyrazol4yl)methylidene)3oxo1benzofuran5carboxylate
MFCD06643209
ZINC000016737417
ZINC16737417
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