Vitas-M small molecule compound
methyl (2Z)-2-{[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819753
SMILES CCCOc1ccc(c(c1)C)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/c1-4-14-36-23-11-12-24(19(2)15-23)28-21(18-32(31-28)22-8-6-5-7-9-22)17-27-29(33)25-16-20(30(34)35-3)10-13-26(25)37-27/h5-13,15-18H,4,14H2,1-3H3/b27-17-InChIKey
RHTPFSLOTRLIIS-PKAZHMFMSA-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)C
CCCOc1ccc(c(c1)C)c1nn(cc1C=C1Oc2c(C1=O)cc(cc2)C(=O)OC)c1ccccc1
InChI=1SC30H26N2O5c14143623111224(19(2)1523)2821(1832(3128)228657922)172729(33)251620(30(34)353)101326(25)3727h5131518H414H213H3b2717
methyl(2Z)2((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
methyl(2Z)2((3(2methyl4propoxyphenyl)1phenylpyrazol4yl)methylidene)3oxo1benzofuran5carboxylate
MFCD06644863
ZINC000016741288
ZINC16741288
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