6-((5Z)-5-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoic acid

SpectraBase Compound ID	9vJrUDh4DnV
InChI	InChI=1S/C27H27N3O3S2/c1-18-12-13-19(2)22(15-18)25-20(17-30(28-25)21-9-5-3-6-10-21)16-23-26(33)29(27(34)35-23)14-8-4-7-11-24(31)32/h3,5-6,9-10,12-13,15-17H,4,7-8,11,14H2,1-2H3,(H,31,32)/b23-16-
InChIKey	KWPAVHPMPKPZNY-KQWNVCNZSA-N Google Search
Mol Weight	505.65 g/mol
Molecular Formula	C27H27N3O3S2
Exact Mass	505.149384 g/mol

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SpectraBase Spectrum ID	HpvhbQoeib6
Name	6-((5Z)-5-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoic acid
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/C27H27N3O3S2/c1-18-12-13-19(2)22(15-18)25-20(17-30(28-25)21-9-5-3-6-10-21)16-23-26(33)29(27(34)35-23)14-8-4-7-11-24(31)32/h3,5-6,9-10,12-13,15-17H,4,7-8,11,14H2,1-2H3,(H,31,32)/b23-16-
InChIKey	KWPAVHPMPKPZNY-KQWNVCNZSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_6336
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: 123214; Labnumber: EX00116393; VK_ID: VK-006339
Synonyms	6-(5-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoic acid
Temperature	318 °C