Vitas-M small molecule compound
methyl (2Z)-3-oxo-2-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819745
SMILES CCCOc1ccc(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 C29H24N2O5 MW 480.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O5/c1-3-15-35-23-12-9-19(10-13-23)27-21(18-31(30-27)22-7-5-4-6-8-22)17-26-28(32)24-16-20(29(33)34-2)11-14-25(24)36-26/h4-14,16-18H,3,15H2,1-2H3/b26-17-InChIKey
AMKIGROJHLJXIH-ONUIUJJFSA-NSynonyms
CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5
CCCOc1ccc(cc1)c1nn(cc1C=C1Oc2c(C1=O)cc(cc2)C(=O)OC)c1ccccc1
InChI=1SC29H24N2O5c1315352312919(101323)2721(1831(3027)227546822)172628(32)241620(29(33)342)111425(24)3626h4141618H315H212H3b2617
methyl(2Z)3oxo2((1phenyl3(4propoxyphenyl)1Hpyrazol4yl)methylidene)23dihydro1benzofuran5carboxylate
methyl(2Z)3oxo2((1phenyl3(4propoxyphenyl)pyrazol4yl)methylidene)1benzofuran5carboxylate
MFCD06644860
ZINC000016741281
ZINC16741281
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