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

SpectraBase Compound ID	4l9VCZVFwbf
InChI	InChI=1S/C26H23N3O5S/c1-14-12-17(16(3)28(14)22-7-5-6-20(15(22)2)25(32)33)13-21-23(30)27-26(35)29(24(21)31)18-8-10-19(34-4)11-9-18/h5-13H,1-4H3,(H,32,33)(H,27,30,35)/b21-13+
InChIKey	GWBYODUAGHKVDL-FYJGNVAPSA-N Google Search
Mol Weight	489.55 g/mol
Molecular Formula	C26H23N3O5S
Exact Mass	489.135842 g/mol

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SpectraBase Spectrum ID	GGDssCLtZ06
Name	3-{3-[(E)-(1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoic 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/C26H23N3O5S/c1-14-12-17(16(3)28(14)22-7-5-6-20(15(22)2)25(32)33)13-21-23(30)27-26(35)29(24(21)31)18-8-10-19(34-4)11-9-18/h5-13H,1-4H3,(H,32,33)(H,27,30,35)/b21-13+
InChIKey	GWBYODUAGHKVDL-FYJGNVAPSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_10374
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: 1001581; UBI_ID: UBI-010377
Synonyms	3-{3-[(1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoic acid
Temperature	315 °C