Products 413585-64-5

CAS 413585-64-5 appears in our catalog under these names: XTT (sodium salt hydrate), XTT (sodium salt hydrate), XTT (sodium hydrate). Offered by: TargetMol, GLPBio, MedChemExpress. Available pack sizes: 25mg, 50mg, 100mg, 250mg, Get quote.

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

Sodium;4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)tetrazol-3-ium-2-yl]-2-nitrobenzenesulfonate;hydrate (CAS 413585-64-5) is a chemical compound with the molecular formula C22H18N7NaO14S2 and a molecular weight of 691.5 g/mol. IUPAC name: sodium;4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)tetrazol-3-ium-2-yl]-2-nitrobenzenesulfonate;hydrate. InChIKey: OMYYRPUFIRZPOS-UHFFFAOYSA-M.

Identity
Molecular formulaC22H18N7NaO14S2
Molecular weight691.5 g/mol
IUPAC namesodium;4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)tetrazol-3-ium-2-yl]-2-nitrobenzenesulfonate;hydrate
InChIKeyOMYYRPUFIRZPOS-UHFFFAOYSA-M
SMILESCOC1=CC(=C(C=C1N2N=C(N=[N+]2C3=CC(=C(C=C3OC)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)NC4=CC=CC=C4)S(=O)(=O)[O-])[N+](=O)[O-].O.[Na+]

Computed by PubChem (NCBI)