Account 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
- Catalog No. :
- ACNZDE486
- CAS No. :
- 1801924-46-8
- Molecular Formula :
- C44H51N7O10S3
- Molecular Weight :
- 934.13
IUPAC Name:2-((1E,3E)-5-((Z)-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
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 2-((1E,3E)-5-((Z)-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 |
| Molecular Formula | C44H51N7O10S3 |
| Molecular Weight | 934.13 |
| SMILES | O=S(C1=CC2=C([N+](CCCCCC(NCC3=CC=C(C4=NN=C(C)N=N4)C=C3)=O)=C(/C=C/C=C/C=C5N(CCCS(=O)(O)=O)C6=C(C=C(S(=O)(O)=O)C=C6)C\5(C)C)C2(C)C)C=C1)([O-])=O |
| InChI Key | ZXNMMOJPJIHIMB-UHFFFAOYSA-N |
| Synonym | Sulfo-Cy5-Methyltetrazine;triSulfo-Cy5-methyltetrazine |
| CAS No. | 1801924-46-8 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACNZDE486 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
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
3-(2-(5-(1-(6-((4-(1,2,4,5-Tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate