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methyl 4-{[({6-[({[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetyl]amino}benzoate

View entire compound with spectra: 1 NMR

methyl 4-{[({6-[({[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetyl]amino}benzoate
SpectraBase Compound ID 6ER53G6D2vK
InChI InChI=1S/C34H28N6O5S3/c1-44-32(43)22-12-14-23(15-13-22)35-31(42)21-47-34-37-27-17-16-24(18-28(27)48-34)36-30(41)20-46-33-39-38-29(19-45-26-10-6-3-7-11-26)40(33)25-8-4-2-5-9-25/h2-18H,19-21H2,1H3,(H,35,42)(H,36,41)
InChIKey OOWNUUQEWBTQJW-UHFFFAOYSA-N
Mol Weight 696.8 g/mol
Molecular Formula C34H28N6O5S3
Exact Mass 696.128332 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BbGKWO5aP77
Name methyl 4-{[({6-[({[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetyl]amino}benzoate
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/C34H28N6O5S3/c1-44-32(43)22-12-14-23(15-13-22)35-31(42)21-47-34-37-27-17-16-24(18-28(27)48-34)36-30(41)20-46-33-39-38-29(19-45-26-10-6-3-7-11-26)40(33)25-8-4-2-5-9-25/h2-18H,19-21H2,1H3,(H,35,42)(H,36,41)
InChIKey OOWNUUQEWBTQJW-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_822
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: ZI/8160319; Labnumber: LP-0605506
Temperature 303 °C