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ethyl 2-{allyl[(6-cyclopropyl-3-methylisoxazolo[5,4-b]pyridin-4-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
SpectraBase Compound ID 6Wzk47UCIMV
InChI InChI=1S/C21H22N4O4S/c1-5-9-25(21-22-12(4)17(30-21)20(27)28-6-2)19(26)14-10-15(13-7-8-13)23-18-16(14)11(3)24-29-18/h5,10,13H,1,6-9H2,2-4H3
InChIKey AUCJBXBUBXNHCM-UHFFFAOYSA-N
Mol Weight 426.49 g/mol
Molecular Formula C21H22N4O4S
Exact Mass 426.136176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K3voTsXOl78
Name ethyl 2-{allyl[(6-cyclopropyl-3-methylisoxazolo[5,4-b]pyridin-4-yl)carbonyl]amino}-4-methyl-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/C21H22N4O4S/c1-5-9-25(21-22-12(4)17(30-21)20(27)28-6-2)19(26)14-10-15(13-7-8-13)23-18-16(14)11(3)24-29-18/h5,10,13H,1,6-9H2,2-4H3
InChIKey AUCJBXBUBXNHCM-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34128
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: 2070612; SBI_ID: SBI-034132
Temperature 297 °C