(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-benzoyl-1-piperazinyl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

SpectraBase Compound ID	JeQ4eSuPI9S
InChI	InChI=1S/C26H25F3N6O2S/c1-17(30-11-12-33-13-15-34(16-14-33)23(36)18-7-3-2-4-8-18)21-22(26(27,28)29)32-35(24(21)37)25-31-19-9-5-6-10-20(19)38-25/h2-10,30H,11-16H2,1H3/b21-17+
InChIKey	ZITLIDFQXOGZKH-HEHNFIMWSA-N Google Search
Mol Weight	542.58 g/mol
Molecular Formula	C26H25F3N6O2S
Exact Mass	542.17118 g/mol

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SpectraBase Spectrum ID	6d85OQupOAk
Name	(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-benzoyl-1-piperazinyl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C26H25F3N6O2S/c1-17(30-11-12-33-13-15-34(16-14-33)23(36)18-7-3-2-4-8-18)21-22(26(27,28)29)32-35(24(21)37)25-31-19-9-5-6-10-20(19)38-25/h2-10,30H,11-16H2,1H3/b21-17+
InChIKey	ZITLIDFQXOGZKH-HEHNFIMWSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_6871
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: 124462; Labnumber: VGU-10656; VK_ID: VK-006875
Synonyms	2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-benzoyl-1-piperazinyl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature	308 °C