3-(2-(5-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(5-((2,5-dioxopyrrolidin-1-yl)oxy)-5-oxopentyl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate

Catalog No. :: ACNPUQ690
CAS No. :: 1620475-28-6
Molecular Formula :: C39H47N3O16S4
Molecular Weight :: 942.08

IUPAC Name:3-((Z)-2-((2E,4E)-5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3-(5-((2,5-dioxopyrrolidin-1-yl)oxy)-5-oxopentyl)-3-methyl-5-sulfoindolin-1-yl)propane-1-sulfonate

3-(2-(5-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(5-((2,5-dioxopyrrolidin-1-yl)oxy)-5-oxopentyl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate structure diagram

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Product Information

Product Name	3-(2-(5-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(5-((2,5-dioxopyrrolidin-1-yl)oxy)-5-oxopentyl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
IUPAC Name	3-((Z)-2-((2E,4E)-5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3-(5-((2,5-dioxopyrrolidin-1-yl)oxy)-5-oxopentyl)-3-methyl-5-sulfoindolin-1-yl)propane-1-sulfonate
Molecular Formula	C39H47N3O16S4
Molecular Weight	942.08
SMILES	O=C(ON1C(=O)CCC1=O)CCCCC2(C=3C=C(C=CC3[N+](=C2C=CC=CC=C4N(C5=CC=C(C=C5C4(C)C)S(=O)(=O)O)CCCS(=O)(=O)O)CCCS(=O)(=O)[O-])S(=O)(=O)O)C
InChI Key	WTYBXOVGGRVXPB-UHFFFAOYSA-N
Synonym	Alexa Fluor? 647 NHS Ester;AF 647 NHS ester;OKF647(C5) SE.TEA;Alexa fluor 647 NHS ester (TEA)NHS
CAS No.	1620475-28-6

Safety Data

Pictogram
Signal Word: Gefahr
Hazard Statement(s): H302-H318
Precautionary Statement(s): P264-P270-P280-P301+P312-P305+P351+P338-P310-P330-P501

Synthetic Route by SureRoute

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3-(2-(5-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(5-((2,5-dioxopyrrolidin-1-yl)oxy)-5-oxopentyl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate

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Synthetic Route by SureRoute

1. ACNPUQ690 Molecular Building Block Synthetic Route

2. ACNPUQ690 Molecular Building Block Synthetic Route

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3-(2-(5-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(5-((2,5-dioxopyrrolidin-1-yl)oxy)-5-oxopentyl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate

Product Information

Safety Data

Synthetic Route by SureRoute

3-(2-(5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate

AF647-NHS ester tripotassium

3-(2-(7-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate

3-(2-(3-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)prop-1-en-1-yl)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate

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