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(5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(4-bromophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(4-bromophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID JMUodSF2Nnd
InChI InChI=1S/C24H18BrN3O4S/c1-13-9-15(14(2)27(13)18-7-8-20-21(11-18)32-12-31-20)10-19-22(29)26-24(33)28(23(19)30)17-5-3-16(25)4-6-17/h3-11H,12H2,1-2H3,(H,26,29,33)/b19-10-
InChIKey LIUBJPPODZHROU-GRSHGNNSSA-N
Mol Weight 524.39 g/mol
Molecular Formula C24H18BrN3O4S
Exact Mass 523.02014 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2q2dvc8mCf9
Name (5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(4-bromophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C24H18BrN3O4S/c1-13-9-15(14(2)27(13)18-7-8-20-21(11-18)32-12-31-20)10-19-22(29)26-24(33)28(23(19)30)17-5-3-16(25)4-6-17/h3-11H,12H2,1-2H3,(H,26,29,33)/b19-10-
InChIKey LIUBJPPODZHROU-GRSHGNNSSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_21207
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: UZI/9678825; UBI_ID: UBI-021211
Synonyms 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(4-bromophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C