For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

methyl 2-[({[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-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-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID IdZS6Tg7jyJ
InChI InChI=1S/C25H24BrFN6O3S2/c1-13-20(26)21(31-32(13)2)22-29-30-25(33(22)15-10-8-14(27)9-11-15)37-12-18(34)28-23-19(24(35)36-3)16-6-4-5-7-17(16)38-23/h8-11H,4-7,12H2,1-3H3,(H,28,34)
InChIKey FVZYKZYRFMFWJB-UHFFFAOYSA-N
Mol Weight 619.53 g/mol
Molecular Formula C25H24BrFN6O3S2
Exact Mass 618.051872 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JbS486uzT4U
Name methyl 2-[({[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-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/C25H24BrFN6O3S2/c1-13-20(26)21(31-32(13)2)22-29-30-25(33(22)15-10-8-14(27)9-11-15)37-12-18(34)28-23-19(24(35)36-3)16-6-4-5-7-17(16)38-23/h8-11H,4-7,12H2,1-3H3,(H,28,34)
InChIKey FVZYKZYRFMFWJB-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11339
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/1029608; Labnumber: NIV1115; UZI_ID: UZI-011341
Temperature 308 °C