Vitas-M small molecule compound
methyl (2Z)-2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819512
SMILES COc1ccc(cc1)c1nn(cc1/C=C/1\Oc2c(C1=O)cc(cc2)C(=O)OC)c1ccccc1
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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 C27H20N2O5 MW 452.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O5/c1-32-21-11-8-17(9-12-21)25-19(16-29(28-25)20-6-4-3-5-7-20)15-24-26(30)22-14-18(27(31)33-2)10-13-23(22)34-24/h3-16H,1-2H3/b24-15-InChIKey
ISLUWLHGRWWNRI-IWIPYMOSSA-NSynonyms
COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5
COc1ccc(cc1)c1nn(cc1C=C1Oc2c(C1=O)cc(cc2)C(=O)OC)c1ccccc1
InChI=1SC27H20N2O5c1322111817(91221)2519(1629(2825)206435720)152426(30)221418(27(31)332)101323(22)3424h316H12H3b2415
methyl(2Z)2((3(4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
methyl(2Z)2((3(4methoxyphenyl)1phenylpyrazol4yl)methylidene)3oxo1benzofuran5carboxylate
MFCD04448453
ZINC000016741242
ZINC16741242
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