5-{3-[(E)-(1-(4-bromo-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-chlorobenzoic acid

SpectraBase Compound ID	B6CVLUNxlOn
InChI	InChI=1S/C25H19BrClN3O4S/c1-12-8-16(26)4-7-21(12)30-23(32)19(22(31)28-25(30)35)10-15-9-13(2)29(14(15)3)17-5-6-20(27)18(11-17)24(33)34/h4-11H,1-3H3,(H,33,34)(H,28,31,35)/b19-10+
InChIKey	YLNBGSWHMHWHAM-VXLYETTFSA-N Google Search
Mol Weight	572.86 g/mol
Molecular Formula	C25H19BrClN3O4S
Exact Mass	570.996818 g/mol

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SpectraBase Spectrum ID	4eRZdsWXkKs
Name	5-{3-[(E)-(1-(4-bromo-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-chlorobenzoic 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/C25H19BrClN3O4S/c1-12-8-16(26)4-7-21(12)30-23(32)19(22(31)28-25(30)35)10-15-9-13(2)29(14(15)3)17-5-6-20(27)18(11-17)24(33)34/h4-11H,1-3H3,(H,33,34)(H,28,31,35)/b19-10+
InChIKey	YLNBGSWHMHWHAM-VXLYETTFSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11526
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: 1003614; UBI_ID: UBI-011529
Synonyms	5-{3-[(1-(4-bromo-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-chlorobenzoic acid
Temperature	318 °C