Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(propylamino)propylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK041921
SMILES CCCN/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/CC
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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 C17H17F3N4OS MW 382.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F3N4OS/c1-3-9-21-10(4-2)13-14(17(18,19)20)23-24(15(13)25)16-22-11-7-5-6-8-12(11)26-16/h5-8,21H,3-4,9H2,1-2H3/b13-10+InChIKey
VAVOKUBQGBVQGY-JLHYYAGUSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(1(PROPYLAMINO)PROPYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4(1(PROPYLAMINO)PROPYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(1(propylamino)propylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL4((PROPYLAMINO)PROPYLIDENE)3(TRIFLUOROMETHYL)12DIAZOLIN5ONE
CCCNC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)CC
CCCNC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)CC
InChI=1SC17H17F3N4OSc1392110(42)1314(17(1819)20)2324(15(13)25)162211756812(11)2616h5821H349H212H3b1310+
MFCD01952293
STK041921
ZINC000005977879
ZINC05977879
ZINC5977879
Check stock
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Check stock on Vitas-MAvailable files
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