(5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxo-1-[3-(trifluoromethyl)phenyl]dihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	LlEerAPe8cd
InChI	InChI=1S/C25H20F3N3O2S/c1-14-7-9-19(10-8-14)30-15(2)11-17(16(30)3)12-21-22(32)29-24(34)31(23(21)33)20-6-4-5-18(13-20)25(26,27)28/h4-13H,1-3H3,(H,29,32,34)/b21-12-
InChIKey	MZYXLSOYCLTUFK-MTJSOVHGSA-N Google Search
Mol Weight	483.51 g/mol
Molecular Formula	C25H20F3N3O2S
Exact Mass	483.122833 g/mol

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SpectraBase Spectrum ID	BAgw7LILjBO
Name	(5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxo-1-[3-(trifluoromethyl)phenyl]dihydro-4,6(1H,5H)-pyrimidinedione
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/C25H20F3N3O2S/c1-14-7-9-19(10-8-14)30-15(2)11-17(16(30)3)12-21-22(32)29-24(34)31(23(21)33)20-6-4-5-18(13-20)25(26,27)28/h4-13H,1-3H3,(H,29,32,34)/b21-12-
InChIKey	MZYXLSOYCLTUFK-MTJSOVHGSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10763
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: E03073; Labnumber: KKA-0212B-0566; SBI_ID: SBI-010766
Synonyms	5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxo-1-[3-(trifluoromethyl)phenyl]dihydro-4,6(1H,5H)-pyrimidinedione
Temperature	308 °C