(6E)-6-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

SpectraBase Compound ID	8LzGoARxZPe
InChI	InChI=1S/C26H24ClN5OS/c1-3-16(4-2)25-30-32-23(28)20(24(33)29-26(32)34-25)13-18-15-31(22-12-8-6-10-19(18)22)14-17-9-5-7-11-21(17)27/h5-13,15-16,28H,3-4,14H2,1-2H3/b20-13+,28-23?
InChIKey	VPXCZVSDPAWJFO-OAXZUEFOSA-N Google Search
Mol Weight	490.03 g/mol
Molecular Formula	C26H24ClN5OS
Exact Mass	489.139009 g/mol

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SpectraBase Spectrum ID	6ROJ2zmE1Yz
Name	(6E)-6-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-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/C26H24ClN5OS/c1-3-16(4-2)25-30-32-23(28)20(24(33)29-26(32)34-25)13-18-15-31(22-12-8-6-10-19(18)22)14-17-9-5-7-11-21(17)27/h5-13,15-16,28H,3-4,14H2,1-2H3/b20-13+,28-23?
InChIKey	VPXCZVSDPAWJFO-OAXZUEFOSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_25860
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: D61680; Labnumber: CEP4-3706; SBI_ID: SBI-025864
Synonyms	6-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature	318 °C