4-[3-({[4-(difluoromethyl)-6-methyl-2-pyrimidinyl]sulfanyl}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-N-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

SpectraBase Compound ID	E4pxKD0Inla
InChI	InChI=1S/C30H29F2N5O3S/c1-16-13-21(28(31)32)36-30(34-16)41-15-19-14-18(10-11-23(19)40-3)26-25(29(39)37-24-9-4-5-12-33-24)17(2)35-20-7-6-8-22(38)27(20)26/h4-5,9-14,26,28,35H,6-8,15H2,1-3H3,(H,33,37,39)
InChIKey	ZTLMTGVNSKVRLH-UHFFFAOYSA-N Google Search
Mol Weight	577.65 g/mol
Molecular Formula	C30H29F2N5O3S
Exact Mass	577.195917 g/mol

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SpectraBase Spectrum ID	GC1PPeN1sHE
Name	4-[3-({[4-(difluoromethyl)-6-methyl-2-pyrimidinyl]sulfanyl}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-N-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
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/C30H29F2N5O3S/c1-16-13-21(28(31)32)36-30(34-16)41-15-19-14-18(10-11-23(19)40-3)26-25(29(39)37-24-9-4-5-12-33-24)17(2)35-20-7-6-8-22(38)27(20)26/h4-5,9-14,26,28,35H,6-8,15H2,1-3H3,(H,33,37,39)
InChIKey	ZTLMTGVNSKVRLH-UHFFFAOYSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_13432
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/9131025; UBI_ID: UBI-013435
Temperature	313 °C