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Nitrorothiangazole
SpectraBase Compound ID BFVqk5uQuMb
InChI InChI=1S/C26H28N6O4S3/c1-15-19(20(33)27-5)28-21(36-15)24(2)12-38-23(30-24)26(4)14-39-22(31-26)25(3)13-37-18(29-25)11-8-16-6-9-17(10-7-16)32(34)35/h6-11H,12-14H2,1-5H3,(H,27,33)/b11-8+/t24-,25-,26-/m0/s1
InChIKey XNYASKPICOLYEK-XVQKKURVSA-N
Mol Weight 584.73 g/mol
Molecular Formula C26H28N6O4S3
Exact Mass 584.133417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CEfESbmxXlF
Name Nitrorothiangazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N6O4S3
InChI InChI=1S/C26H28N6O4S3/c1-15-19(20(33)27-5)28-21(36-15)24(2)12-38-23(30-24)26(4)14-39-22(31-26)25(3)13-37-18(29-25)11-8-16-6-9-17(10-7-16)32(34)35/h6-11H,12-14H2,1-5H3,(H,27,33)/b11-8+/t24-,25-,26-/m0/s1
InChIKey XNYASKPICOLYEK-XVQKKURVSA-N
Molecular Weight 584.728 g/mol
SMILES N(C(c1nc([C@]2(N=C([C@]3(N=C([C@]4(N=C(\C=C\c5ccc(N(=O)=O)cc5)SC4)C)SC3)C)SC2)C)oc1C)=O)C
SPLASH splash10-01w0-2669040000-9c5bb3073ab1042360b6
Source of Spectrum U1-1999-3391-56
Synonyms N,5-dimethyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]-4-oxazolecarboxamide N,5-dimethyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-(4-nitrophenyl)vinyl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]oxazole-4-carboxamide N,5-dimethyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxamide
Wiley ID 753445