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3-[(3-oxo-3-{4-[(2-pyrimidinylamino)sulfonyl]anilino}propyl)sulfanyl]-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}propanamide

View entire compound with spectra: 2 NMR

3-[(3-oxo-3-{4-[(2-pyrimidinylamino)sulfonyl]anilino}propyl)sulfanyl]-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}propanamide
SpectraBase Compound ID 9WfyA3SpCC6
InChI InChI=1S/C26H26N8O6S3/c35-23(31-19-3-7-21(8-4-19)42(37,38)33-25-27-13-1-14-28-25)11-17-41-18-12-24(36)32-20-5-9-22(10-6-20)43(39,40)34-26-29-15-2-16-30-26/h1-10,13-16H,11-12,17-18H2,(H,31,35)(H,32,36)(H,27,28,33)(H,29,30,34)
InChIKey RMXRONIRWHAMII-UHFFFAOYSA-N
Mol Weight 642.72 g/mol
Molecular Formula C26H26N8O6S3
Exact Mass 642.113744 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HyIBEZOl5AV
Name 3-[(3-oxo-3-{4-[(2-pyrimidinylamino)sulfonyl]anilino}propyl)sulfanyl]-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}propanamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H26N8O6S3/c35-23(31-19-3-7-21(8-4-19)42(37,38)33-25-27-13-1-14-28-25)11-17-41-18-12-24(36)32-20-5-9-22(10-6-20)43(39,40)34-26-29-15-2-16-30-26/h1-10,13-16H,11-12,17-18H2,(H,31,35)(H,32,36)(H,27,28,33)(H,29,30,34)
InChIKey RMXRONIRWHAMII-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_21128
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/9347990; UBI_ID: UBI-021132
Temperature 318 °C