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isopropyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-cyclohexyl-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

isopropyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID A9JzAcRPUcB
InChI InChI=1S/C26H33ClN6O3S2/c1-15(2)36-25(35)21-17-11-7-8-12-19(17)38-24(21)29-20(34)14-37-26-31-30-23(22-18(27)13-28-32(22)3)33(26)16-9-5-4-6-10-16/h13,15-16H,4-12,14H2,1-3H3,(H,29,34)
InChIKey VXAXYBDCXFISTQ-UHFFFAOYSA-N
Mol Weight 577.2 g/mol
Molecular Formula C26H33ClN6O3S2
Exact Mass 576.174409 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jd7FjzMhCIs
Name isopropyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-cyclohexyl-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/C26H33ClN6O3S2/c1-15(2)36-25(35)21-17-11-7-8-12-19(17)38-24(21)29-20(34)14-37-26-31-30-23(22-18(27)13-28-32(22)3)33(26)16-9-5-4-6-10-16/h13,15-16H,4-12,14H2,1-3H3,(H,29,34)
InChIKey VXAXYBDCXFISTQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11421
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/1032086; Labnumber: NIV1237; UZI_ID: UZI-011423
Temperature 308 °C