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ethyl 4-({[3-cyano-4-cyclopropyl-6-(difluoromethyl)-2-pyridinyl]sulfanyl}methyl)-2-(isopropylamino)-1,3-thiazole-5-carboxylate

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ethyl 4-({[3-cyano-4-cyclopropyl-6-(difluoromethyl)-2-pyridinyl]sulfanyl}methyl)-2-(isopropylamino)-1,3-thiazole-5-carboxylate
SpectraBase Compound ID HhkyyMtWzoK
InChI InChI=1S/C20H22F2N4O2S2/c1-4-28-19(27)16-15(26-20(30-16)24-10(2)3)9-29-18-13(8-23)12(11-5-6-11)7-14(25-18)17(21)22/h7,10-11,17H,4-6,9H2,1-3H3,(H,24,26)
InChIKey KKIIHSUGKPCFRB-UHFFFAOYSA-N
Mol Weight 452.54 g/mol
Molecular Formula C20H22F2N4O2S2
Exact Mass 452.115225 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2obpdunc35T
Name ethyl 4-({[3-cyano-4-cyclopropyl-6-(difluoromethyl)-2-pyridinyl]sulfanyl}methyl)-2-(isopropylamino)-1,3-thiazole-5-carboxylate
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/C20H22F2N4O2S2/c1-4-28-19(27)16-15(26-20(30-16)24-10(2)3)9-29-18-13(8-23)12(11-5-6-11)7-14(25-18)17(21)22/h7,10-11,17H,4-6,9H2,1-3H3,(H,24,26)
InChIKey KKIIHSUGKPCFRB-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32605
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: 1880711; SBI_ID: SBI-032609
Temperature 297 °C