![(E)-3-({5-Hydroxy-4-[(E)-(4-hydroxyphenyl)diazinyl]-1-phenyl-1H-pyrazol-3-yl}imino)-5-(piperidin-1-ylsulfonyl)indolin-2-one](/api/spectrum/A8mZg97Qgar/structure.png?h=300&w=458 "(E)-3-({5-Hydroxy-4-[(E)-(4-hydroxyphenyl)diazinyl]-1-phenyl-1H-pyrazol-3-yl}imino)-5-(piperidin-1-ylsulfonyl)indolin-2-one")
| SpectraBase Compound ID | LqiWWpzuZKc |
|---|---|
| InChI | InChI=1S/C28H25N7O5S/c36-20-11-9-18(10-12-20)31-32-25-26(33-35(28(25)38)19-7-3-1-4-8-19)30-24-22-17-21(13-14-23(22)29-27(24)37)41(39,40)34-15-5-2-6-16-34/h1,3-4,7-14,17,36,38H,2,5-6,15-16H2,(H,29,30,33,37)/b32-31+ |
| InChIKey | CMRLIYWZPZDOLE-QNEJGDQOSA-N |
| Mol Weight | 571.61 g/mol |
| Molecular Formula | C28H25N7O5S |
| Exact Mass | 571.163788 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A8mZg97Qgar |
|---|---|
| Name | (E)-3-({5-Hydroxy-4-[(E)-(4-hydroxyphenyl)diazinyl]-1-phenyl-1H-pyrazol-3-yl}imino)-5-(piperidin-1-ylsulfonyl)indolin-2-one |
| Appearance | Orange yellow powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H25N7O5S |
| InChI | InChI=1S/C28H25N7O5S/c36-20-11-9-18(10-12-20)31-32-25-26(33-35(28(25)38)19-7-3-1-4-8-19)30-24-22-17-21(13-14-23(22)29-27(24)37)41(39,40)34-15-5-2-6-16-34/h1,3-4,7-14,17,36,38H,2,5-6,15-16H2,(H,29,30,33,37)/b32-31+ |
| InChIKey | CMRLIYWZPZDOLE-QNEJGDQOSA-N |
| Instrument Name | Thermo Scientific ISQLT |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/ardp.202100266 |
| Molecular Weight | 571.612 g/mol |
| SMILES | Oc1c(\N=N\c2ccc(cc2)O)c(n[n]1-c1ccccc1)\N=C\1C(Nc2c1cc(cc2)S(N1CCCCC1)(=O)=O)=O |
| SPLASH | splash10-002r-2645930000-cb734322deb5edccf535 |
| Source of Spectrum | APC-355-SM23-9b |
| Wiley ID | 1868682 |