Account 3-(2-(3-(3,3-Dimethyl-1-(6-((4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
- Catalog No. :
- ACODRB835
- CAS No. :
- 1676067-48-3
- Molecular Formula :
- C42H49N7O10S3
- Molecular Weight :
- 908.09
IUPAC Name:2-((E)-3-((E)-3,3-dimethyl-1-(6-((4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-1-(3-sulfopropyl)-3H-indol-1-ium-5-sulfonate
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Product Information
| Product Name | 3-(2-(3-(3,3-Dimethyl-1-(6-((4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate |
|---|---|
| IUPAC Name | 2-((E)-3-((E)-3,3-dimethyl-1-(6-((4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-1-(3-sulfopropyl)-3H-indol-1-ium-5-sulfonate |
| Molecular Formula | C42H49N7O10S3 |
| Molecular Weight | 908.09 |
| SMILES | O=S(CCC[N+]1=C(C=CC=C2N(CCCCCC(NCC3=CC=C(C4=NN=C(C)N=N4)C=C3)=O)C5=C(C=C(S(=O)(O)=O)C=C5)C2(C)C)C(C)(C)C6=C1C=CC(S(=O)(O)=O)=C6)([O-])=O |
| InChI Key | OZCFOARLJNJDKW-UHFFFAOYSA-N |
| Synonym | Cy3 Methyltetrazine;Trisulfo-Cy3 methyltetrazine;Cy3 Methyltetrazine (CCT-1018) |
| CAS No. | 1676067-48-3 |
Synthetic Route by SureRoute
2. ACODRB835 Molecular Building Block Synthetic Route
2-(3-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-1-(6-((4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-3H-indol-1-ium-5-sulfonate
2-(3-(1-(6-((4-(1,2,4,5-Tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-1-(3-sulfopropyl)-3H-indol-1-ium-5-sulfonate
2-((1E,3E,5Z)-5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-1-(6-((4-(6-Methyl-1,2,4,5-tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-3H-indol-1-ium-5-sulfonate