Vitas-M small molecule compound
methyl (2Z)-2-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819767
SMILES CCOc1ccc(cc1C)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 C29H24N2O5 MW 480.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O5/c1-4-35-24-12-10-19(14-18(24)2)27-21(17-31(30-27)22-8-6-5-7-9-22)16-26-28(32)23-15-20(29(33)34-3)11-13-25(23)36-26/h5-17H,4H2,1-3H3/b26-16-InChIKey
YCMJFRPGLAKANN-QQXSKIMKSA-NSynonyms
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5)C
CCOc1ccc(cc1C)c1nn(cc1C=C1Oc2c(C1=O)cc(cc2)C(=O)OC)c1ccccc1
InChI=1SC29H24N2O5c143524121019(1418(24)2)2721(1731(3027)228657922)162628(32)231520(29(33)343)111325(23)3626h517H4H213H3b2616
methyl(2Z)2((3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
methyl(2Z)2((3(4ethoxy3methylphenyl)1phenylpyrazol4yl)methylidene)3oxo1benzofuran5carboxylate
MFCD06644865
ZINC000016741294
ZINC16741294
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