Vitas-M small molecule compound
methyl (2Z)-2-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819764
SMILES CCCCOc1ccc(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 C30H26N2O5 MW 494.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O5/c1-3-4-16-36-24-13-10-20(11-14-24)28-22(19-32(31-28)23-8-6-5-7-9-23)18-27-29(33)25-17-21(30(34)35-2)12-15-26(25)37-27/h5-15,17-19H,3-4,16H2,1-2H3/b27-18-InChIKey
FIVFQRVHAPBTJU-IMRQLAEWSA-NSynonyms
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5
CCCCOc1ccc(cc1)c1nn(cc1C=C1Oc2c(C1=O)cc(cc2)C(=O)OC)c1ccccc1
InChI=1SC30H26N2O5c134163624131020(111424)2822(1932(3128)238657923)182729(33)251721(30(34)352)121526(25)3727h5151719H3416H212H3b2718
methyl(2Z)2((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
methyl(2Z)2((3(4butoxyphenyl)1phenylpyrazol4yl)methylidene)3oxo1benzofuran5carboxylate
MFCD06644864
ZINC000016741293
ZINC16741293
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