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2-(1,3-benzothiazol-2-yl)-4-{(1E)-N-[(E)-2-(1H-indol-3-yl)ethyl]ethanimidoyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one

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2-(1,3-benzothiazol-2-yl)-4-{(1E)-N-[(E)-2-(1H-indol-3-yl)ethyl]ethanimidoyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID GmG54vyD8zI
InChI InChI=1S/C23H18F3N5OS/c1-13(27-11-10-14-12-28-16-7-3-2-6-15(14)16)19-20(23(24,25)26)30-31(21(19)32)22-29-17-8-4-5-9-18(17)33-22/h2-9,12,28,30H,10-11H2,1H3/b27-13+
InChIKey VEJADWOJOPSOCK-UVHMKAGCSA-N
Mol Weight 469.49 g/mol
Molecular Formula C23H18F3N5OS
Exact Mass 469.118416 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EwIcLBJqmJE
Name 2-(1,3-benzothiazol-2-yl)-4-{(1E)-N-[(E)-2-(1H-indol-3-yl)ethyl]ethanimidoyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
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/C23H18F3N5OS/c1-13(27-11-10-14-12-28-16-7-3-2-6-15(14)16)19-20(23(24,25)26)30-31(21(19)32)22-29-17-8-4-5-9-18(17)33-22/h2-9,12,28,30H,10-11H2,1H3/b27-13+
InChIKey VEJADWOJOPSOCK-UVHMKAGCSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_1496
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: 701301VOR8-8578; Labnumber: 701301VOR8-8578; VK_ID: VK-001497
Synonyms 2-(1,3-benzothiazol-2-yl)-4-{N-[2-(1H-indol-3-yl)ethyl]ethanimidoyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Temperature 308 °C