Vitas-M small molecule compound
methyl (2Z)-2-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819749
SMILES C=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 C30H24N2O5 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N2O5/c1-4-14-36-25-12-10-20(15-19(25)2)28-22(18-32(31-28)23-8-6-5-7-9-23)17-27-29(33)24-16-21(30(34)35-3)11-13-26(24)37-27/h4-13,15-18H,1,14H2,2-3H3/b27-17-InChIKey
IEVOOSMTMXQKRU-PKAZHMFMSA-NSynonyms
C=CCOc1ccc(cc1C)c1nn(cc1C=C1Oc2c(C1=O)cc(cc2)C(=O)OC)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5)OCC=C
InChI=1SC30H24N2O5c14143625121020(1519(25)2)2822(1832(3128)238657923)172729(33)241621(30(34)353)111326(24)3727h4131518H114H223H3b2717
methyl(2Z)2((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
methyl(2Z)2((3(3methyl4prop2enoxyphenyl)1phenylpyrazol4yl)methylidene)3oxo1benzofuran5carboxylate
MFCD06644861
ZINC000016741286
ZINC16741286
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