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

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6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide
SpectraBase Compound ID K8IhJ3clFMv
InChI InChI=1S/C30H27ClN4O3S/c1-18-22(31)12-9-14-23(18)34-26(36)17-39-30-21(16-32)28(20-10-5-4-6-11-20)27(19(2)33-30)29(37)35-24-13-7-8-15-25(24)38-3/h4-15,28,33H,17H2,1-3H3,(H,34,36)(H,35,37)
InChIKey OLCMQAZZKMJGNC-UHFFFAOYSA-N
Mol Weight 559.08 g/mol
Molecular Formula C30H27ClN4O3S
Exact Mass 558.14924 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 46n3B8gEybl
Name 6-{[2-(3-chloro-2-methylanilino)-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/C30H27ClN4O3S/c1-18-22(31)12-9-14-23(18)34-26(36)17-39-30-21(16-32)28(20-10-5-4-6-11-20)27(19(2)33-30)29(37)35-24-13-7-8-15-25(24)38-3/h4-15,28,33H,17H2,1-3H3,(H,34,36)(H,35,37)
InChIKey OLCMQAZZKMJGNC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_3336
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/10211902; Labnumber: KR-KSG1G12
Temperature 303 °C