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5-Desmethylthiangazole
SpectraBase Compound ID 1Tk4O8D7Hct
InChI InChI=1S/C25H27N5O2S3/c1-15-18(19(26)31)27-20(32-15)23(2)12-34-22(29-23)25(4)14-35-21(30-25)24(3)13-33-17(28-24)11-10-16-8-6-5-7-9-16/h5-11H,12-14H2,1-4H3,(H2,26,31)/b11-10+/t23-,24-,25-/m0/s1
InChIKey UZJXKXJGEDWDQY-VZKANXNGSA-N
Mol Weight 525.7 g/mol
Molecular Formula C25H27N5O2S3
Exact Mass 525.132689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BK1GZDqtM6
Name 5-Desmethylthiangazole
Alternate Name(s) 5-Methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxamide 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-oxazolecarboxamide 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-carboxamide 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-carboxamide
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Formula C25H27N5O2S3
InChI InChI=1S/C25H27N5O2S3/c1-15-18(19(26)31)27-20(32-15)23(2)12-34-22(29-23)25(4)14-35-21(30-25)24(3)13-33-17(28-24)11-10-16-8-6-5-7-9-16/h5-11H,12-14H2,1-4H3,(H2,26,31)/b11-10+/t23-,24-,25-/m0/s1
InChIKey UZJXKXJGEDWDQY-VZKANXNGSA-N
Molecular Weight 525.704 g/mol
SMILES NC(c1nc([C@]2(N=C([C@]3(N=C([C@]4(N=C(\C=C\c5ccccc5)SC4)C)SC3)C)SC2)C)oc1C)=O
SPLASH splash10-0jb9-0093010000-00bedc272e5efb3609c6
Source of Spectrum U1-1999-3388-22
Wiley ID 753463