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2-[(5-benzoyl-4-amino-2-phenylamino-thiophene-3-carbonyl)-amino]-5,6-dimethyl-4-(furan-2yl)pyridine-2-yl-3-carbonitrile
SpectraBase Compound ID Fya5pC0Qz1a
InChI InChI=1S/C30H23N5O3S/c1-17-18(2)33-28(21(16-31)23(17)22-14-9-15-38-22)35-29(37)24-25(32)27(26(36)19-10-5-3-6-11-19)39-30(24)34-20-12-7-4-8-13-20/h3-15,34H,32H2,1-2H3,(H,33,35,37)
InChIKey LWNUMVCDWSRMJX-UHFFFAOYSA-N
Mol Weight 533.61 g/mol
Molecular Formula C30H23N5O3S
Exact Mass 533.152161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VdZOYwzO9o
Name 2-[(5-benzoyl-4-amino-2-phenylamino-thiophene-3-carbonyl)-amino]-5,6-dimethyl-4-(furan-2yl)pyridine-2-yl-3-carbonitrile
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H23N5O3S
InChI InChI=1S/C30H23N5O3S/c1-17-18(2)33-28(21(16-31)23(17)22-14-9-15-38-22)35-29(37)24-25(32)27(26(36)19-10-5-3-6-11-19)39-30(24)34-20-12-7-4-8-13-20/h3-15,34H,32H2,1-2H3,(H,33,35,37)
InChIKey LWNUMVCDWSRMJX-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2414
Molecular Weight 533.606 g/mol
SMILES N(c1nc(c(c(c1C#N)-c1ccco1)C)C)C(c1c(c(sc1Nc1ccccc1)C(=O)c1ccccc1)N)=O
SPLASH splash10-0g4i-9742040000-07758029147c2a18b2a7
Source of Spectrum Y-53-1248-19
Wiley ID 1876534