HS-131

cas: 2084850-40-6 — see every product listed under this CAS number, including other names

HS-131 (CAS 2084850-40-6) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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

4-[(2E)-2-[(2Z,4E)-3-[4-[[3-[2-[2-[2-[2-[3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]methyl]phenyl]-5-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate (CAS 2084850-40-6) is a chemical compound with the molecular formula C71H95N7O13S2 and a molecular weight of 1318.7 g/mol. IUPAC name: 4-[(2E)-2-[(2Z,4E)-3-[4-[[3-[2-[2-[2-[2-[3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]methyl]phenyl]-5-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate. InChIKey: UYNYHTXDTCBXTN-UHFFFAOYSA-N.

Identity
Molecular formulaC71H95N7O13S2
Molecular weight1318.7 g/mol
IUPAC name4-[(2E)-2-[(2Z,4E)-3-[4-[[3-[2-[2-[2-[2-[3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]methyl]phenyl]-5-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate
InChIKeyUYNYHTXDTCBXTN-UHFFFAOYSA-N
SMILESCC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC(=C(C=C3)C(=O)N)NCCCOCCOCCOCCOCCOCCCNCC4=CC=C(C=C4)/C(=C\C=C\5/C(C6=CC=CC=C6N5CCCCS(=O)(=O)[O-])(C)C)/C=C/C7=[N+](C8=CC=CC=C8C7(C)C)CCCCS(=O)(=O)O

Computed by PubChem (NCBI)

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