Vitas-M small molecule compound
(4E)-4-[3-ethoxy-5-iodo-4-(prop-2-en-1-yloxy)benzylidene]-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL378674
SMILES C=CCOc1c(I)cc(cc1OCC)/C=C/1\C(=NN(C1=O)c1ccccc1)CCC
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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 C24H25IN2O3 MW 516.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25IN2O3/c1-4-10-21-19(24(28)27(26-21)18-11-8-7-9-12-18)14-17-15-20(25)23(30-13-5-2)22(16-17)29-6-3/h5,7-9,11-12,14-16H,2,4,6,10,13H2,1,3H3/b19-14+InChIKey
LJENTXHYVKMRJK-XMHGGMMESA-NSynonyms
(4E)4((3ETHOXY5IODO4PROP2ENOXYPHENYL)METHYLIDENE)2PHENYL5PROPYLPYRAZOL3ONE
(4E)4(3ethoxy5iodo4(prop2en1yloxy)benzylidene)2phenyl5propyl24dihydro3Hpyrazol3one
C=CCOc1c(I)cc(cc1OCC)C=C1C(=NN(C1=O)c1ccccc1)CCC
CCCC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)I)OCC=C)OCC)C3=CC=CC=C3
InChI=1SC24H25IN2O3c14102119(24(28)27(2621)18118791218)14171520(25)23(301352)22(1617)2963h57911121416H2461013H213H3b1914+
MFCD05041280
ZINC000100318232
ZINC100318232
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