2-{3-[(E)-(1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

SpectraBase Compound ID	FVSBjALSz4z
InChI	InChI=1S/C30H30N4O3S/c1-17-14-19(18(2)33(17)28-24(16-31)22-8-6-7-9-25(22)38-28)15-23-26(35)32-29(37)34(27(23)36)21-12-10-20(11-13-21)30(3,4)5/h10-15H,6-9H2,1-5H3,(H,32,35,37)/b23-15+
InChIKey	VRGGZEBHGMFYOJ-HZHRSRAPSA-N Google Search
Mol Weight	526.66 g/mol
Molecular Formula	C30H30N4O3S
Exact Mass	526.203862 g/mol

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SpectraBase Spectrum ID	9XljYYNnXbz
Name	2-{3-[(E)-(1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
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/C30H30N4O3S/c1-17-14-19(18(2)33(17)28-24(16-31)22-8-6-7-9-25(22)38-28)15-23-26(35)32-29(37)34(27(23)36)21-12-10-20(11-13-21)30(3,4)5/h10-15H,6-9H2,1-5H3,(H,32,35,37)/b23-15+
InChIKey	VRGGZEBHGMFYOJ-HZHRSRAPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_8922
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: 133300; Labnumber: AREF-019693; VK_ID: VK-008926
Synonyms	2-{3-[(1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Temperature	318 °C