Vitas-M small molecule compound
methyl (2Z)-2-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819519
SMILES CCOc1ccc(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 C28H22N2O5 MW 466.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O5/c1-3-34-22-12-9-18(10-13-22)26-20(17-30(29-26)21-7-5-4-6-8-21)16-25-27(31)23-15-19(28(32)33-2)11-14-24(23)35-25/h4-17H,3H2,1-2H3/b25-16-InChIKey
DXNAAXSHDDHLHR-XYGWBWBKSA-NSynonyms
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5
CCOc1ccc(cc1)c1nn(cc1C=C1Oc2c(C1=O)cc(cc2)C(=O)OC)c1ccccc1
InChI=1SC28H22N2O5c13342212918(101322)2620(1730(2926)217546821)162527(31)231519(28(32)332)111424(23)3525h417H3H212H3b2516
methyl(2Z)2((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
methyl(2Z)2((3(4ethoxyphenyl)1phenylpyrazol4yl)methylidene)3oxo1benzofuran5carboxylate
MFCD06644847
ZINC000016741244
ZINC16741244
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