(7E)-2-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-7-[4-(4-morpholinyl)benzylidene]-3-[4-(4-morpholinyl)phenyl]-3,3a,4,5,6,7-hexahydro-2H-indazole

SpectraBase Compound ID	20pYKD8WxVp
InChI	InChI=1S/C33H37N5O3S/c1-23-32(42-22-34-23)33(39)38-31(25-7-11-28(12-8-25)37-15-19-41-20-16-37)29-4-2-3-26(30(29)35-38)21-24-5-9-27(10-6-24)36-13-17-40-18-14-36/h5-12,21-22,29,31H,2-4,13-20H2,1H3/b26-21+
InChIKey	SEZBQIVMXUPAFS-YYADALCUSA-N Google Search
Mol Weight	583.8 g/mol
Molecular Formula	C33H37N5O3S
Exact Mass	583.261711 g/mol

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SpectraBase Spectrum ID	6v3GbGUln2u
Name	(7E)-2-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-7-[4-(4-morpholinyl)benzylidene]-3-[4-(4-morpholinyl)phenyl]-3,3a,4,5,6,7-hexahydro-2H-indazole
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/C33H37N5O3S/c1-23-32(42-22-34-23)33(39)38-31(25-7-11-28(12-8-25)37-15-19-41-20-16-37)29-4-2-3-26(30(29)35-38)21-24-5-9-27(10-6-24)36-13-17-40-18-14-36/h5-12,21-22,29,31H,2-4,13-20H2,1H3/b26-21+
InChIKey	SEZBQIVMXUPAFS-YYADALCUSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_9024
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: UZI/1024878; Labnumber: Gbb0195; UZI_ID: UZI-009026
Synonyms	2-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-7-[4-(4-morpholinyl)benzylidene]-3-[4-(4-morpholinyl)phenyl]-3,3a,4,5,6,7-hexahydro-2H-indazole
Temperature	308 °C