![3,7-Bis[2'-amino-3'-cyano-4'-phenylpyridin-5'-ylacetamido]]phenothiazine](/api/spectrum/GUdIXxuH4XG/structure.png?h=300&w=458 "3,7-Bis[2'-amino-3'-cyano-4'-phenylpyridin-5'-ylacetamido]]phenothiazine")
| SpectraBase Compound ID | IbHL4u8MvoW |
|---|---|
| InChI | InChI=1S/C40H29N9O2S/c41-19-29-37(23-7-3-1-4-8-23)25(21-45-39(29)43)15-35(50)47-27-11-13-31-33(17-27)52-34-18-28(12-14-32(34)49-31)48-36(51)16-26-22-46-40(44)30(20-42)38(26)24-9-5-2-6-10-24/h1-14,17-18,21-22,49H,15-16H2,(H2,43,45)(H2,44,46)(H,47,50)(H,48,51) |
| InChIKey | UZGRPOFBAMPMRW-UHFFFAOYSA-N |
| Mol Weight | 699.8 g/mol |
| Molecular Formula | C40H29N9O2S |
| Exact Mass | 699.216492 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GUdIXxuH4XG |
|---|---|
| Name | 3,7-Bis[2'-amino-3'-cyano-4'-phenylpyridin-5'-ylacetamido]]phenothiazine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H29N9O2S |
| InChI | InChI=1S/C40H29N9O2S/c41-19-29-37(23-7-3-1-4-8-23)25(21-45-39(29)43)15-35(50)47-27-11-13-31-33(17-27)52-34-18-28(12-14-32(34)49-31)48-36(51)16-26-22-46-40(44)30(20-42)38(26)24-9-5-2-6-10-24/h1-14,17-18,21-22,49H,15-16H2,(H2,43,45)(H2,44,46)(H,47,50)(H,48,51) |
| InChIKey | UZGRPOFBAMPMRW-UHFFFAOYSA-N |
| Molecular Weight | 699.793 g/mol |
| SMILES | N(C(Cc1c(c(c(nc1)N)C#N)-c1ccccc1)=O)c1ccc2Nc3ccc(cc3Sc2c1)NC(Cc1cnc(c(c1-c1ccccc1)C#N)N)=O |
| SPLASH | splash10-05mk-3900133000-a9ff789e7183d3783876 |
| Source of Spectrum | Y1-42-2600-6 |
| Wiley ID | 1565356 |