methyl (2E)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

SpectraBase Compound ID	9paXRa4CEVE
InChI	InChI=1S/C27H25N5O3S/c1-16-22(26(34)35-4)24(18-10-12-20(13-11-18)31(2)3)32-25(33)21(36-27(32)29-16)14-19-15-28-30-23(19)17-8-6-5-7-9-17/h5-15,24H,1-4H3,(H,28,30)/b21-14+
InChIKey	VMOGDGXEMPTVII-KGENOOAVSA-N Google Search
Mol Weight	499.59 g/mol
Molecular Formula	C27H25N5O3S
Exact Mass	499.167811 g/mol

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SpectraBase Spectrum ID	K0mVZyMSEof
Name	methyl (2E)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-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/C27H25N5O3S/c1-16-22(26(34)35-4)24(18-10-12-20(13-11-18)31(2)3)32-25(33)21(36-27(32)29-16)14-19-15-28-30-23(19)17-8-6-5-7-9-17/h5-15,24H,1-4H3,(H,28,30)/b21-14+
InChIKey	VMOGDGXEMPTVII-KGENOOAVSA-N
NMR Offset	17.5285
NMR Spectrometer Frequency	500.138
Observed nucleus	1H
Origin	1H_UBI_21270_14359
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/1014666; UBI_ID: UBI-014362
Synonyms	methyl 5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature	300 °C