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2-[({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-3-(2-methoxyphenyl)-4(3H)-quinazolinone

View entire compound with spectra: 1 NMR

2-[({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-3-(2-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID 1z1KNa8FKhG
InChI InChI=1S/C30H26BrN7O2S/c1-19-28(31)20(2)36(35-19)17-26-33-34-30(37(26)21-11-5-4-6-12-21)41-18-27-32-23-14-8-7-13-22(23)29(39)38(27)24-15-9-10-16-25(24)40-3/h4-16H,17-18H2,1-3H3
InChIKey FOJRVBRMLYKXCF-UHFFFAOYSA-N
Mol Weight 628.55 g/mol
Molecular Formula C30H26BrN7O2S
Exact Mass 627.105207 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AUcRNCEg3Ia
Name 2-[({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-3-(2-methoxyphenyl)-4(3H)-quinazolinone
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/C30H26BrN7O2S/c1-19-28(31)20(2)36(35-19)17-26-33-34-30(37(26)21-11-5-4-6-12-21)41-18-27-32-23-14-8-7-13-22(23)29(39)38(27)24-15-9-10-16-25(24)40-3/h4-16H,17-18H2,1-3H3
InChIKey FOJRVBRMLYKXCF-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16872
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/1268558; Labnumber: PVB0024; UZI_ID: UZI-016876
Temperature 308 °C