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methyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR

methyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID NT4O1Jg8D3
InChI InChI=1S/C27H30N6O4S2/c1-5-37-18-12-10-17(11-13-18)33-24(20-14-16(2)31-32(20)3)29-30-27(33)38-15-22(34)28-25-23(26(35)36-4)19-8-6-7-9-21(19)39-25/h10-14H,5-9,15H2,1-4H3,(H,28,34)
InChIKey LPMGAEXIOFGZPK-UHFFFAOYSA-N
Mol Weight 566.7 g/mol
Molecular Formula C27H30N6O4S2
Exact Mass 566.176996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3oXyN5Ouqjk
Name methyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C27H30N6O4S2/c1-5-37-18-12-10-17(11-13-18)33-24(20-14-16(2)31-32(20)3)29-30-27(33)38-15-22(34)28-25-23(26(35)36-4)19-8-6-7-9-21(19)39-25/h10-14H,5-9,15H2,1-4H3,(H,28,34)
InChIKey LPMGAEXIOFGZPK-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11343
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/1031848; Labnumber: NIV1119; UZI_ID: UZI-011345
Temperature 308 °C