Vitas-M small molecule compound
4-[(4Z)-4-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide
Catalog ID
STK090990
SMILES C=CCOc1ccc(cc1OC)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)S(=O)(=O)N
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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 C21H18F3N3O5S MW 481.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N3O5S/c1-3-10-32-17-9-4-13(12-18(17)31-2)11-16-19(21(22,23)24)26-27(20(16)28)14-5-7-15(8-6-14)33(25,29)30/h3-9,11-12H,1,10H2,2H3,(H2,25,29,30)/b16-11-InChIKey
LWGNUDZGOVVWTR-WJDWOHSUSA-NSynonyms
4((4Z)4((3METHOXY4PROP2ENOXYPHENYL)METHYLIDENE)5OXO3(TRIFLUOROMETHYL)PYRAZOL1YL)BENZENESULFONAMIDE
4((4Z)4(3METHOXY4(PROP2EN1YLOXY)BENZYLIDENE)5OXO3(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL1YL)BENZENESULFONAMIDE
C=CCOc1ccc(cc1OC)C=C1C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)S(=O)(=O)N
COC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)OCC=C
InChI=1SC21H18F3N3O5Sc131032179413(1218(17)312)111619(21(2223)24)2627(20(16)28)145715(8614)33(2529)30h391112H110H22H3(H2252930)b1611
MFCD02908128
STK090990
ZINC000013894654
ZINC13894654
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