(6E)-6-{[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-(2-fluorophenyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

SpectraBase Compound ID	AMq4F0l7GoX
InChI	InChI=1S/C25H19ClFN5OS/c1-13-10-17(26)8-9-21(13)31-14(2)11-16(15(31)3)12-19-22(28)32-25(29-23(19)33)34-24(30-32)18-6-4-5-7-20(18)27/h4-12,28H,1-3H3/b19-12+,28-22?
InChIKey	IMUOCISPZOSEPS-UAQPTAFESA-N Google Search
Mol Weight	491.97 g/mol
Molecular Formula	C25H19ClFN5OS
Exact Mass	491.098287 g/mol

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SpectraBase Spectrum ID	IDDUQKm20Z3
Name	(6E)-6-{[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-(2-fluorophenyl)-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/C25H19ClFN5OS/c1-13-10-17(26)8-9-21(13)31-14(2)11-16(15(31)3)12-19-22(28)32-25(29-23(19)33)34-24(30-32)18-6-4-5-7-20(18)27/h4-12,28H,1-3H3/b19-12+,28-22?
InChIKey	IMUOCISPZOSEPS-UAQPTAFESA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4188
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: E01101; Labnumber: CEP4-1875; SBI_ID: SBI-004190
Synonyms	6-{[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-(2-fluorophenyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature	318 °C