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N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-({4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

View entire compound with spectra: 1 NMR

N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-({4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID AJVhI0g4Pxj
InChI InChI=1S/C29H29N7O5S2/c1-19-6-10-23(11-7-19)41-17-27-33-34-29(36(27)16-24-5-4-14-40-24)42-18-28(37)32-22-8-12-25(13-9-22)43(38,39)35-26-15-20(2)30-21(3)31-26/h4-15H,16-18H2,1-3H3,(H,32,37)(H,30,31,35)
InChIKey SEPUCMYOWTUOQA-UHFFFAOYSA-N
Mol Weight 619.72 g/mol
Molecular Formula C29H29N7O5S2
Exact Mass 619.167159 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Jn3tB8W6vZ
Name N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-({4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
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/C29H29N7O5S2/c1-19-6-10-23(11-7-19)41-17-27-33-34-29(36(27)16-24-5-4-14-40-24)42-18-28(37)32-22-8-12-25(13-9-22)43(38,39)35-26-15-20(2)30-21(3)31-26/h4-15H,16-18H2,1-3H3,(H,32,37)(H,30,31,35)
InChIKey SEPUCMYOWTUOQA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11203
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: E06273; Labnumber: GRES-19438; SBI_ID: SBI-011206
Temperature 318 °C