Chemical Compound

CHEMBL1269291

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CHEMBL1269291 chemical structure
Primary Record

CHEMBL1269291

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
91933564
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=CC=CC=C5N4CCCCS(=O)(=O)[O-])(C)C)/CCC3)SC6=CC=C(C=C6)C(=O)NCCCCCN7CCN(CC7)C8=CC=CC=C8OC)CCCCS(=O)(=O)[O-])C
Canonical SMILES
COc1ccccc1N1CCN(CCCCCNC(=O)c2ccc(SC3=C(/C=C/C4=[N+](CCCCS(=O)(=O)[O-])c5ccccc5C4(C)C)CCC/C3=C\C=C3\N(CCCCS(=O)(=O)[O-])c4ccccc4C3(C)C)cc2)CC1

Names & Synonyms

  • CHEMBL1269291
  • BDBM50329679
  • sodium 4-(2-(2-(3-(2-(3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indolium-2-yl)vinyl)-2-(4-(5-(4-(2-methoxyphenyl)piperazin-1-yl)pentylcarbamoyl)phenylthio)cyclohex-2-enylidene)ethylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate chloride