4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-, ethyl ester

SpectraBase Compound ID	6h2ETU85HA1
InChI	InChI=1S/C30H30FN5O6S2/c1-4-42-29(39)26-20-6-5-7-23(20)44-28(26)33-25(37)16-43-30-35-34-24(36(30)19-11-9-18(31)10-12-19)15-32-27(38)17-8-13-21(40-2)22(14-17)41-3/h8-14H,4-7,15-16H2,1-3H3,(H,32,38)(H,33,37)
InChIKey	VAXREJBNZRFFJO-UHFFFAOYSA-N Google Search
Mol Weight	639.72 g/mol
Molecular Formula	C30H30FN5O6S2
Exact Mass	639.162154 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	3i24T908Huh
Name	4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-, ethyl ester
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/C30H30FN5O6S2/c1-4-42-29(39)26-20-6-5-7-23(20)44-28(26)33-25(37)16-43-30-35-34-24(36(30)19-11-9-18(31)10-12-19)15-32-27(38)17-8-13-21(40-2)22(14-17)41-3/h8-14H,4-7,15-16H2,1-3H3,(H,32,38)(H,33,37)
InChIKey	VAXREJBNZRFFJO-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_6674
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: NMR/10278685