Cy3-NO2-Tre

cas: 3012597-48-4 — see every product listed under this CAS number, including other names

Cy3-NO2-Tre (CAS 3012597-48-4) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

6-[2-[3-[3,3-dimethyl-1-[(4-nitrophenyl)methyl]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]hexanamide bromide (CAS 3012597-48-4) is a chemical compound with the molecular formula C48H61BrN4O13 and a molecular weight of 981.9 g/mol. IUPAC name: 6-[2-[3-[3,3-dimethyl-1-[(4-nitrophenyl)methyl]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]hexanamide bromide. InChIKey: WCJHPFGKEPUYBG-YHKDYSKUSA-N.

Identity
Molecular formulaC48H61BrN4O13
Molecular weight981.9 g/mol
IUPAC name6-[2-[3-[3,3-dimethyl-1-[(4-nitrophenyl)methyl]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]hexanamide bromide
InChIKeyWCJHPFGKEPUYBG-YHKDYSKUSA-N
SMILESCC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)(C)C)CC7=CC=C(C=C7)[N+](=O)[O-])C.[Br-]

Computed by PubChem (NCBI)

Synonyms: orb3027460

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