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6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-pyridine-3-carboxamide

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6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-pyridine-3-carboxamide
SpectraBase Compound ID ITe0EfqcYlk
InChI InChI=1S/C27H28N4O4S/c1-18-24(26(33)30-20-10-5-6-11-21(20)34-2)25(22-12-9-15-35-22)19(16-28)27(29-18)36-17-23(32)31-13-7-3-4-8-14-31/h5-6,9-12,15H,3-4,7-8,13-14,17H2,1-2H3,(H,30,33)
InChIKey SXLJFDJWBKNVNK-UHFFFAOYSA-N
Mol Weight 504.61 g/mol
Molecular Formula C27H28N4O4S
Exact Mass 504.183127 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E2SKd3v6e7S
Name 6-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-furyl)-N-(2-methoxyphenyl)-2-methylnicotinamide
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/C27H28N4O4S/c1-18-24(26(33)30-20-10-5-6-11-21(20)34-2)25(22-12-9-15-35-22)19(16-28)27(29-18)36-17-23(32)31-13-7-3-4-8-14-31/h5-6,9-12,15H,3-4,7-8,13-14,17H2,1-2H3,(H,30,33)
InChIKey SXLJFDJWBKNVNK-UHFFFAOYSA-N
NMR Offset 16.0106
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2555
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/9301829; Labnumber: DVD-0000154