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Methyl ester - derivative of thiangazole
SpectraBase Compound ID BS6Ob5vTr4M
InChI InChI=1S/C26H28N4O3S3/c1-16-19(20(31)32-5)27-21(33-16)24(2)13-35-23(29-24)26(4)15-36-22(30-26)25(3)14-34-18(28-25)12-11-17-9-7-6-8-10-17/h6-12H,13-15H2,1-5H3/b12-11+/t24-,25-,26-/m0/s1
InChIKey PQSNRXQCWMHRPP-WMXIMKIMSA-N
Mol Weight 540.72 g/mol
Molecular Formula C26H28N4O3S3
Exact Mass 540.132354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANjAfEQqyRN
Name Methyl ester - derivative of thiangazole
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Formula C26H28N4O3S3
InChI InChI=1S/C26H28N4O3S3/c1-16-19(20(31)32-5)27-21(33-16)24(2)13-35-23(29-24)26(4)15-36-22(30-26)25(3)14-34-18(28-25)12-11-17-9-7-6-8-10-17/h6-12H,13-15H2,1-5H3/b12-11+/t24-,25-,26-/m0/s1
InChIKey PQSNRXQCWMHRPP-WMXIMKIMSA-N
Molecular Weight 540.715 g/mol
SMILES c1(nc([C@]2(N=C([C@]3(N=C([C@]4(N=C(\C=C\c5ccccc5)SC4)C)SC3)C)SC2)C)oc1C)C(=O)OC
SPLASH splash10-0w30-1295010000-4cb9a22af732b71906da
Source of Spectrum U1-1999-3387-15
Synonyms (4S)-4-Methyl 4-[2'-(4'S)-4'-methyl-4'(2''-(4''R)-4''methyl-4''-(2'''-(4'''-methoxycarbonyl-5'''-methyl)oxazole)-.deata.(2)-thiazoline]-.deata.(2)-thiazoline]-2-cinnamyl-.deata.-thiazoline (4S)-4-Methyl 4-[2'-(4'S)-4'-methyl-4'(2''-(4''R)-4''methyl-4''-(2'''-(4'''-methoxycarbonyl-5'''-methyl)oxazole)-.deata.(2)-thiazoline]-.deata.(2)-thiazoline]-2-cinnamyl-.deata.-thiazoline 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]-4-oxazolecarboxylic acid methyl ester Methyl 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]oxazole-4-carboxylate Methyl 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]-1,3-oxazole-4-carboxylate
Wiley ID 753469