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3-pyridinecarboxylic acid, 5-cyano-1,4-dihydro-2-methyl-6-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-4-(2-thienyl)-, methyl ester

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 5-cyano-1,4-dihydro-2-methyl-6-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-4-(2-thienyl)-, methyl ester
SpectraBase Compound ID 1DwsSFXp7xF
InChI InChI=1S/C19H18N4O4S2/c1-10-7-14(23-27-10)22-15(24)9-29-18-12(8-20)17(13-5-4-6-28-13)16(11(2)21-18)19(25)26-3/h4-7,17,21H,9H2,1-3H3,(H,22,23,24)
InChIKey MLQVYWNQGBXASU-UHFFFAOYSA-N
Mol Weight 430.5 g/mol
Molecular Formula C19H18N4O4S2
Exact Mass 430.076947 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dc7hXo6PJme
Name 3-pyridinecarboxylic acid, 5-cyano-1,4-dihydro-2-methyl-6-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-4-(2-thienyl)-, methyl ester
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/C19H18N4O4S2/c1-10-7-14(23-27-10)22-15(24)9-29-18-12(8-20)17(13-5-4-6-28-13)16(11(2)21-18)19(25)26-3/h4-7,17,21H,9H2,1-3H3,(H,22,23,24)
InChIKey MLQVYWNQGBXASU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_1505
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: F10838; Labnumber: SHES8-1301