Vitas-M small molecule compound
4-[(Z)-{3,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrazolidin-4-ylidene}methyl]-2-methoxyphenyl furan-2-carboxylate
Catalog ID
STL432044
SMILES COc1cc(ccc1OC(=O)c1ccco1)/C=C\1/C(=O)NN(C1=O)c1cccc(c1)C(F)(F)F
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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 C23H15F3N2O6 MW 472.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15F3N2O6/c1-32-19-11-13(7-8-17(19)34-22(31)18-6-3-9-33-18)10-16-20(29)27-28(21(16)30)15-5-2-4-14(12-15)23(24,25)26/h2-12H,1H3,(H,27,29)/b16-10-InChIKey
UVSSFJCEGOZOGO-YBEGLDIGSA-NSynonyms
(4((Z)(35dioxo1(3(trifluoromethyl)phenyl)pyrazolidin4ylidene)methyl)2methoxyphenyl)furan2carboxylate
4((Z)(35dioxo1(3(trifluoromethyl)phenyl)pyrazolidin4ylidene)methyl)2methoxyphenylfuran2carboxylate
COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC(=C3)C(F)(F)F)OC(=O)C4=CC=CO4
COc1cc(ccc1OC(=O)c1ccco1)C=C1C(=O)NN(C1=O)c1cccc(c1)C(F)(F)F
InChI=1SC23H15F3N2O6c132191113(7817(19)3422(31)186393318)101620(29)2728(21(16)30)1552414(1215)23(2425)26h212H1H3(H2729)b1610
MFCD04069324
ZINC000016196111
ZINC16196111
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