Vitas-M small molecule compound
(4Z)-4-[3-bromo-5-methoxy-4-(2-methylpropoxy)benzylidene]-1-(3-fluorophenyl)pyrazolidine-3,5-dione
Catalog ID
STL432676
SMILES COc1cc(/C=C\2/C(=O)NN(C2=O)c2cccc(c2)F)cc(c1OCC(C)C)Br
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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 C21H20BrFN2O4 MW 463.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrFN2O4/c1-12(2)11-29-19-17(22)8-13(9-18(19)28-3)7-16-20(26)24-25(21(16)27)15-6-4-5-14(23)10-15/h4-10,12H,11H2,1-3H3,(H,24,26)/b16-7-InChIKey
SXYPKRRNYINSQT-APSNUPSMSA-NSynonyms
(4Z)4((3bromo5methoxy4(2methylpropoxy)phenyl)methylidene)1(3fluorophenyl)pyrazolidine35dione
(4Z)4(3bromo5methoxy4(2methylpropoxy)benzylidene)1(3fluorophenyl)pyrazolidine35dione
CC(C)COC1=C(C=C(C=C1Br)C=C2C(=O)NN(C2=O)C3=CC(=CC=C3)F)OC
COc1cc(C=C2C(=O)NN(C2=O)c2cccc(c2)F)cc(c1OCC(C)C)Br
InChI=1SC21H20BrFN2O4c112(2)11291917(22)813(918(19)283)71620(26)2425(21(16)27)1564514(23)1015h41012H11H213H3(H2426)b167
MFCD05041835
ZINC000016575321
ZINC16575321
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