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

SpectraBase Compound ID	4PM0yy27LaA
InChI	InChI=1S/C25H20ClN3O5S/c1-13-10-15(14(2)28(13)17-6-9-21(26)19(12-17)24(32)33)11-20-22(30)27-25(35)29(23(20)31)16-4-7-18(34-3)8-5-16/h4-12H,1-3H3,(H,32,33)(H,27,30,35)/b20-11+
InChIKey	HSWIHKBEJMJBEB-RGVLZGJSSA-N Google Search
Mol Weight	509.96 g/mol
Molecular Formula	C25H20ClN3O5S
Exact Mass	509.08122 g/mol

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SpectraBase Spectrum ID	KZQ6mNOQXy6
Name	2-chloro-5-{3-[(E)-(1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic 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/C25H20ClN3O5S/c1-13-10-15(14(2)28(13)17-6-9-21(26)19(12-17)24(32)33)11-20-22(30)27-25(35)29(23(20)31)16-4-7-18(34-3)8-5-16/h4-12H,1-3H3,(H,32,33)(H,27,30,35)/b20-11+
InChIKey	HSWIHKBEJMJBEB-RGVLZGJSSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11525
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: 1003958; UBI_ID: UBI-011528
Synonyms	2-chloro-5-{3-[(1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Temperature	318 °C