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, 98%

cas: 1801924-47-9 — see every product listed under this CAS number, including other names

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, 98% (CAS 1801924-47-9) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

• 2D
• 3D

2-[(E,3Z)-3-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-[6-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-6-oxohexyl]indol-1-ium-5-sulfonate (CAS 1801924-47-9) is a chemical compound with the molecular formula C42H49N7O10S3 and a molecular weight of 908.1 g/mol. IUPAC name: 2-[(E,3Z)-3-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-[6-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-6-oxohexyl]indol-1-ium-5-sulfonate. InChIKey: OZCFOARLJNJDKW-UHFFFAOYSA-N.

Identity

Molecular formula	C42H49N7O10S3
Molecular weight	908.1 g/mol
IUPAC name	2-[(E,3Z)-3-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-[6-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-6-oxohexyl]indol-1-ium-5-sulfonate
InChIKey	OZCFOARLJNJDKW-UHFFFAOYSA-N
SMILES	CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCC[N+]3=C(C(C4=C3C=CC(=C4)S(=O)(=O)[O-])(C)C)/C=C/C=C\5/C(C6=C(N5CCCS(=O)(=O)O)C=CC(=C6)S(=O)(=O)O)(C)C

Computed by PubChem (NCBI)

Synonyms: Sulfo-Cy3-Methyltetrazine

Related forms of this compound

2-[(E,3E)-3-[3,3-dimethyl-1-[6-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-6-oxohexyl]-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-sulfonate C₄₂H₄₉N₇O₁₀S₃