Vitas-M small molecule compound
(4Z)-4-(3,5-dibromo-2-ethoxybenzylidene)-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL372362
SMILES CCOc1c(cc(cc1Br)Br)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C)C)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 C21H20Br2N2O2 MW 492.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Br2N2O2/c1-5-27-20-15(9-16(22)11-19(20)23)10-18-14(4)24-25(21(18)26)17-7-6-12(2)13(3)8-17/h6-11H,5H2,1-4H3/b18-10-InChIKey
UGZYVIBJWJSDDT-ZDLGFXPLSA-NSynonyms
(4Z)4((35dibromo2ethoxyphenyl)methylidene)2(34dimethylphenyl)5methylpyrazol3one
(4Z)4(35dibromo2ethoxybenzylidene)2(34dimethylphenyl)5methyl24dihydro3Hpyrazol3one
CCOC1=C(C=C(C=C1C=C2C(=NN(C2=O)C3=CC(=C(C=C3)C)C)C)Br)Br
CCOc1c(cc(cc1Br)Br)C=C1C(=NN(C1=O)c1ccc(c(c1)C)C)C
InChI=1SC21H20Br2N2O2c15272015(916(22)1119(20)23)101814(4)2425(21(18)26)177612(2)13(3)817h611H5H214H3b1810
MFCD01157853
ZINC000008694351
ZINC8694351
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