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methyl 5-methyl-2-[({[4-oxo-3-(4-pyridinylmethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]-3-thiophenecarboxylate

View entire compound with spectra: 1 NMR

methyl 5-methyl-2-[({[4-oxo-3-(4-pyridinylmethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]-3-thiophenecarboxylate
SpectraBase Compound ID 68QwWaKtnvA
InChI InChI=1S/C25H24N4O4S3/c1-14-11-17(24(32)33-2)21(35-14)27-19(30)13-34-25-28-22-20(16-5-3-4-6-18(16)36-22)23(31)29(25)12-15-7-9-26-10-8-15/h7-11H,3-6,12-13H2,1-2H3,(H,27,30)
InChIKey WVOVDEHZFRLILU-UHFFFAOYSA-N
Mol Weight 540.67 g/mol
Molecular Formula C25H24N4O4S3
Exact Mass 540.095969 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8E6kVH3pN85
Name methyl 5-methyl-2-[({[4-oxo-3-(4-pyridinylmethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]-3-thiophenecarboxylate
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/C25H24N4O4S3/c1-14-11-17(24(32)33-2)21(35-14)27-19(30)13-34-25-28-22-20(16-5-3-4-6-18(16)36-22)23(31)29(25)12-15-7-9-26-10-8-15/h7-11H,3-6,12-13H2,1-2H3,(H,27,30)
InChIKey WVOVDEHZFRLILU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8063
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/1269303; Labnumber: COL6705; UZI_ID: UZI-008065
Temperature 318 °C