Products 95837-47-1

CAS 95837-47-1 appears in our catalog under these names: Cypate, 98.60%, Cypate, 98%, 3-(2-(7-(3-(2-Carboxyethyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-2-yl)hepta-2,4,6-trien-1-ylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)propanoate, 98%. Offered by: MedChemExpress, Ambeed, Chemat, BLDpharm. Available pack sizes: 5 mg, 10 mg, 25 mg, 50 mg, 250mg, 10mg, 25mg, 50mg.

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

3-[2-[7-[3-(2-carboxyethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoate (CAS 95837-47-1) is a chemical compound with the molecular formula C41H40N2O4 and a molecular weight of 624.8 g/mol. IUPAC name: 3-[2-[7-[3-(2-carboxyethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoate. InChIKey: WKEOTLJATWJLPG-UHFFFAOYSA-N.

Identity
Molecular formulaC41H40N2O4
Molecular weight624.8 g/mol
IUPAC name3-[2-[7-[3-(2-carboxyethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoate
InChIKeyWKEOTLJATWJLPG-UHFFFAOYSA-N
SMILESCC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCC(=O)[O-])C=CC=CC=CC=C4C(C5=C(N4CCC(=O)O)C=CC6=CC=CC=C65)(C)C)C

Computed by PubChem (NCBI)