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2-[({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

View entire compound with spectra: 1 NMR

2-[({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SpectraBase Compound ID F5e45nNVIBt
InChI InChI=1S/C21H25N7O3S2/c1-27-8-7-14(26-27)19-24-25-21(28(19)10-12-4-3-9-31-12)32-11-16(29)23-20-17(18(22)30)13-5-2-6-15(13)33-20/h7-8,12H,2-6,9-11H2,1H3,(H2,22,30)(H,23,29)
InChIKey VOXUPHMNAIRHQH-UHFFFAOYSA-N
Mol Weight 487.6 g/mol
Molecular Formula C21H25N7O3S2
Exact Mass 487.14603 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DxnuYwFUW5T
Name 2-[({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
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/C21H25N7O3S2/c1-27-8-7-14(26-27)19-24-25-21(28(19)10-12-4-3-9-31-12)32-11-16(29)23-20-17(18(22)30)13-5-2-6-15(13)33-20/h7-8,12H,2-6,9-11H2,1H3,(H2,22,30)(H,23,29)
InChIKey VOXUPHMNAIRHQH-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10598
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/1031563; Labnumber: KUZ0448; UZI_ID: UZI-010600
Temperature 308 °C