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

SpectraBase Compound ID	CUPbShZxJwB
InChI	InChI=1S/C25H20ClN3O4S/c1-13-6-4-5-7-21(13)29-23(31)19(22(30)27-25(29)34)11-16-10-14(2)28(15(16)3)17-8-9-20(26)18(12-17)24(32)33/h4-12H,1-3H3,(H,32,33)(H,27,30,34)/b19-11-
InChIKey	APPZCNUWDLUGJZ-ODLFYWEKSA-N Google Search
Mol Weight	493.97 g/mol
Molecular Formula	C25H20ClN3O4S
Exact Mass	493.086305 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	K8mmqq9ZCyz
Name	2-chloro-5-{2,5-dimethyl-3-[(Z)-(1-(2-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-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/C25H20ClN3O4S/c1-13-6-4-5-7-21(13)29-23(31)19(22(30)27-25(29)34)11-16-10-14(2)28(15(16)3)17-8-9-20(26)18(12-17)24(32)33/h4-12H,1-3H3,(H,32,33)(H,27,30,34)/b19-11-
InChIKey	APPZCNUWDLUGJZ-ODLFYWEKSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11496
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: 1003140; UBI_ID: UBI-011499
Synonyms	2-chloro-5-{2,5-dimethyl-3-[(1-(2-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Temperature	318 °C