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{(4S,5S)-5-[4-(4-Chloro-phenyl)-thiazol-2-yl]-4-pyridin-3-yl-4,5-dihydro-1H-pyrrol-3-yl}-phenyl-methanone

View entire compound with spectra: 1 MS (GC)

{(4S,5S)-5-[4-(4-Chloro-phenyl)-thiazol-2-yl]-4-pyridin-3-yl-4,5-dihydro-1H-pyrrol-3-yl}-phenyl-methanone
SpectraBase Compound ID 4EyGjF2Z6mS
InChI InChI=1S/C25H18ClN3OS/c26-19-10-8-16(9-11-19)21-15-31-25(29-21)23-22(18-7-4-12-27-13-18)20(14-28-23)24(30)17-5-2-1-3-6-17/h1-15,22-23,28H/t22-,23-/m0/s1
InChIKey IEOKTBSSOMFHOA-GOTSBHOMSA-N
Mol Weight 443.95 g/mol
Molecular Formula C25H18ClN3OS
Exact Mass 443.085911 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AXqY2YqPVS
Name {(4S,5S)-5-[4-(4-Chloro-phenyl)-thiazol-2-yl]-4-pyridin-3-yl-4,5-dihydro-1H-pyrrol-3-yl}-phenyl-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18ClN3OS
InChI InChI=1S/C25H18ClN3OS/c26-19-10-8-16(9-11-19)21-15-31-25(29-21)23-22(18-7-4-12-27-13-18)20(14-28-23)24(30)17-5-2-1-3-6-17/h1-15,22-23,28H/t22-,23-/m0/s1
InChIKey IEOKTBSSOMFHOA-GOTSBHOMSA-N
Molecular Weight 443.952 g/mol
SMILES N1[C@@]([C@](C(=C1)C(=O)c1ccccc1)(c1cnccc1)[H])(c1nc(-c2ccc(Cl)cc2)cs1)[H]
SPLASH splash10-004i-9404100000-574aa729d71c8a123f09
Source of Spectrum MN-1999-118-4
Synonyms 2-[4'-(p-Bromophenyl)thiazol-2'-yl]-3-(3''-pyridinyl)-4-benzoylpyrrole [(4S,5S)-5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(3-pyridinyl)-4,5-dihydro-1H-pyrrol-3-yl](phenyl)methanone
Wiley ID 1546399