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

View entire compound with spectra: 1 NMR

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acetamide
SpectraBase Compound ID CdUU7Bfcxmq
InChI InChI=1S/C33H35N7O4S2/c1-21-19-29(35-22(2)34-21)39-46(42,43)28-17-11-25(12-18-28)36-30(41)20-45-32-38-37-31(23-7-9-24(10-8-23)33(3,4)5)40(32)26-13-15-27(44-6)16-14-26/h7-19H,20H2,1-6H3,(H,36,41)(H,34,35,39)
InChIKey LSTVMPLONPOJFZ-UHFFFAOYSA-N
Mol Weight 657.8 g/mol
Molecular Formula C33H35N7O4S2
Exact Mass 657.219195 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E29sZRERrSJ
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)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/C33H35N7O4S2/c1-21-19-29(35-22(2)34-21)39-46(42,43)28-17-11-25(12-18-28)36-30(41)20-45-32-38-37-31(23-7-9-24(10-8-23)33(3,4)5)40(32)26-13-15-27(44-6)16-14-26/h7-19H,20H2,1-6H3,(H,36,41)(H,34,35,39)
InChIKey LSTVMPLONPOJFZ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4554
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: D99166; Labnumber: GRES-32395; SBI_ID: SBI-004556
Temperature 315 °C