| SpectraBase Compound ID | 5LyvvPaQ7A0 |
|---|---|
| InChI | InChI=1S/C27H31N5O2S3/c1-17-20(21(33)32(5)6)28-22(34-17)25(2)14-36-24(30-25)27(4)16-37-23(31-27)26(3)15-35-19(29-26)13-12-18-10-8-7-9-11-18/h7-13H,14-16H2,1-6H3/b13-12+/t25-,26-,27-/m0/s1 |
| InChIKey | HTSRHGDOWCLRGU-PBUZKHPPSA-N |
| Mol Weight | 553.76 g/mol |
| Molecular Formula | C27H31N5O2S3 |
| Exact Mass | 553.163989 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jkv3wiOQOC4 |
|---|---|
| Name | N,N-Dimethylcarboxamide - derivative of thiangazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H31N5O2S3 |
| InChI | InChI=1S/C27H31N5O2S3/c1-17-20(21(33)32(5)6)28-22(34-17)25(2)14-36-24(30-25)27(4)16-37-23(31-27)26(3)15-35-19(29-26)13-12-18-10-8-7-9-11-18/h7-13H,14-16H2,1-6H3/b13-12+/t25-,26-,27-/m0/s1 |
| InChIKey | HTSRHGDOWCLRGU-PBUZKHPPSA-N |
| Molecular Weight | 553.758 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(N(C)C)=O |
| SPLASH | splash10-0udi-1194040000-78baa391be581e4fadef |
| Source of Spectrum | U1-1999-3386-5 |
| Synonyms | N,N,5-trimethyl-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 N,N,5-trimethyl-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 N,N,5-trimethyl-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 N,N,5-trimethyl-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 |
| Wiley ID | 753478 |