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6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide

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6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide
SpectraBase Compound ID CPoSrmLTLoV
InChI InChI=1S/C29H25ClN4O3S/c1-18-26(28(36)34-23-13-6-7-14-24(23)37-2)27(19-9-4-3-5-10-19)22(16-31)29(32-18)38-17-25(35)33-21-12-8-11-20(30)15-21/h3-15,27,32H,17H2,1-2H3,(H,33,35)(H,34,36)
InChIKey KBBCTMTYAMQWPJ-UHFFFAOYSA-N
Mol Weight 545.06 g/mol
Molecular Formula C29H25ClN4O3S
Exact Mass 544.13359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FrJWqHgdenY
Name 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide
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/C29H25ClN4O3S/c1-18-26(28(36)34-23-13-6-7-14-24(23)37-2)27(19-9-4-3-5-10-19)22(16-31)29(32-18)38-17-25(35)33-21-12-8-11-20(30)15-21/h3-15,27,32H,17H2,1-2H3,(H,33,35)(H,34,36)
InChIKey KBBCTMTYAMQWPJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_3329
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: NMR/10211891; Labnumber: KR-KSG1G01
Temperature 303 °C