Vitas-M small molecule compound
(4E)-4-[2-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)benzylidene]-2-(3,4-dichlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK957930
SMILES C=CCOc1cc(Br)c(cc1OCC)/C=C/1\C(=NN(C1=O)c1ccc(c(c1)Cl)Cl)C
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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 C22H19BrCl2N2O3 MW 510.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrCl2N2O3/c1-4-8-30-21-12-17(23)14(10-20(21)29-5-2)9-16-13(3)26-27(22(16)28)15-6-7-18(24)19(25)11-15/h4,6-7,9-12H,1,5,8H2,2-3H3/b16-9+InChIKey
MYHSFXQDUHGBMS-CXUHLZMHSA-NSynonyms
(4E)4((2BROMO5ETHOXY4PROP2ENOXYPHENYL)METHYLIDENE)2(34DICHLOROPHENYL)5METHYLPYRAZOL3ONE
(4E)4(2bromo5ethoxy4(prop2en1yloxy)benzylidene)2(34dichlorophenyl)5methyl24dihydro3Hpyrazol3one
C=CCOc1cc(Br)c(cc1OCC)C=C1C(=NN(C1=O)c1ccc(c(c1)Cl)Cl)C
CCOC1=C(C=C(C(=C1)C=C2C(=NN(C2=O)C3=CC(=C(C=C3)Cl)Cl)C)Br)OCC=C
InChI=1SC22H19BrCl2N2O3c14830211217(23)14(1020(21)2952)91613(3)2627(22(16)28)156718(24)19(25)1115h467912H158H223H3b169+
MFCD01648009
ZINC000015930677
ZINC15930677
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