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5-Methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-N-phenyl-1,3-oxazole-4-carboxamide
SpectraBase Compound ID 7XKEzqNX5zz
InChI InChI=1S/C31H31N5O2S3/c1-20-24(25(37)32-22-13-9-6-10-14-22)33-26(38-20)29(2)17-40-28(35-29)31(4)19-41-27(36-31)30(3)18-39-23(34-30)16-15-21-11-7-5-8-12-21/h5-16H,17-19H2,1-4H3,(H,32,37)/b16-15+/t29-,30-,31-/m0/s1
InChIKey KBEZSUKUPWEGCE-PNMKYVDESA-N
Mol Weight 601.8 g/mol
Molecular Formula C31H31N5O2S3
Exact Mass 601.163989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6I41jXMcA1R
Name 5-Methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-N-phenyl-1,3-oxazole-4-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H31N5O2S3
InChI InChI=1S/C31H31N5O2S3/c1-20-24(25(37)32-22-13-9-6-10-14-22)33-26(38-20)29(2)17-40-28(35-29)31(4)19-41-27(36-31)30(3)18-39-23(34-30)16-15-21-11-7-5-8-12-21/h5-16H,17-19H2,1-4H3,(H,32,37)/b16-15+/t29-,30-,31-/m0/s1
InChIKey KBEZSUKUPWEGCE-PNMKYVDESA-N
Molecular Weight 601.802 g/mol
SMILES N(C(c1nc([C@]2(N=C([C@]3(N=C([C@]4(N=C(\C=C\c5ccccc5)SC4)C)SC3)C)SC2)C)oc1C)=O)c1ccccc1
SPLASH splash10-0udi-1566069000-5d341983fbd7a3455e42
Source of Spectrum U1-1999-3387-17
Synonyms 5-Methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]-N-phenyl-4-oxazolecarboxamide 5-Methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-styryl]-2-thiazolin-4-yl]-2-thiazolin-4-yl]-2-thiazolin-4-yl]-N-phenyl-oxazole-4-carboxamide 5-Methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-styryl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]-N-phenyl-oxazole-4-carboxamide
Wiley ID 753468