Vitas-M small molecule compound
4-[(4Z)-4-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide
Catalog ID
STL378488
SMILES CCOc1cc(ccc1OCC#C)/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 C22H18F3N3O5S MW 493.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F3N3O5S/c1-3-11-33-18-10-5-14(13-19(18)32-4-2)12-17-20(22(23,24)25)27-28(21(17)29)15-6-8-16(9-7-15)34(26,30)31/h1,5-10,12-13H,4,11H2,2H3,(H2,26,30,31)/b17-12-InChIKey
DKTDOPZCWVWAPP-ATVHPVEESA-NSynonyms
4((4Z)4((3ETHOXY4PROP2YNOXYPHENYL)METHYLIDENE)5OXO3(TRIFLUOROMETHYL)PYRAZOL1YL)BENZENESULFONAMIDE
4((4Z)4(3ethoxy4(prop2yn1yloxy)benzylidene)5oxo3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzenesulfonamide
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)OCC#C
CCOc1cc(ccc1OCC#C)C=C1C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)S(=O)(=O)N
InChI=1SC22H18F3N3O5Sc1311331810514(1319(18)3242)121720(22(2324)25)2728(21(17)29)156816(9715)34(2630)31h15101213H411H22H3(H2263031)b1712
MFCD03217354
ZINC000016192369
ZINC16192369
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