Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK070452
SMILES C/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NC1CC(C)(C)NC(C1)(C)C
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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 C22H26F3N5OS MW 465.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26F3N5OS/c1-12(26-13-10-20(2,3)29-21(4,5)11-13)16-17(22(23,24)25)28-30(18(16)31)19-27-14-8-6-7-9-15(14)32-19/h6-9,13,26,29H,10-11H2,1-5H3/b16-12-InChIKey
JITGTSXQZLWEDI-VBKFSLOCSA-NSynonyms
299936-93-9(4Z)2(13benzothiazol2yl)4(1((2266tetramethylpiperidin4yl)amino)ethylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)2(13benzothiazol2yl)4(1((2266tetramethylpiperidin4yl)amino)ethylidene)5(trifluoromethyl)pyrazol3one
(E)1(benzo(d)thiazol2yl)4(1((2266tetramethylpiperidin4yl)amino)ethylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
299936939
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NC4CC(NC(C4)(C)C)(C)C
CC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)NC1CC(C)(C)NC(C1)(C)C
InChI=1SC22H26F3N5OSc112(26131020(23)2921(45)1113)1617(22(2324)25)2830(18(16)31)192714867915(14)3219h69132629H1011H215H3b1612
MFCD01417160
STK070452
ZINC000095482946
ZINC95482946
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