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

SpectraBase Compound ID	7GJ1ye1xmCr
InChI	InChI=1S/C24H17BrClN3O4S/c1-12-9-14(13(2)28(12)17-7-8-20(26)18(11-17)23(32)33)10-19-21(30)27-24(34)29(22(19)31)16-5-3-15(25)4-6-16/h3-11H,1-2H3,(H,32,33)(H,27,30,34)/b19-10-
InChIKey	STAVGTNYBDZTRS-GRSHGNNSSA-N Google Search
Mol Weight	558.83 g/mol
Molecular Formula	C24H17BrClN3O4S
Exact Mass	556.981168 g/mol

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SpectraBase Spectrum ID	C28LYJTNMcN
Name	5-{3-[(Z)-(1-(4-bromophenyl)-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/C24H17BrClN3O4S/c1-12-9-14(13(2)28(12)17-7-8-20(26)18(11-17)23(32)33)10-19-21(30)27-24(34)29(22(19)31)16-5-3-15(25)4-6-16/h3-11H,1-2H3,(H,32,33)(H,27,30,34)/b19-10-
InChIKey	STAVGTNYBDZTRS-GRSHGNNSSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11498
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: 1002924; UBI_ID: UBI-011501
Synonyms	5-{3-[(1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-chlorobenzoic acid
Temperature	318 °C