COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK374796
Chemical Name: 3-ethyl-2-{(1E,3E,5Z)-5-[3-ethyl-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-2(3H)-ylidene]-3-methylpenta-1,3-dien-1-yl}-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-3-ium
Smiles: COc1cc2c(cc1SC)s/c(=C\C=C(\C=C\c1sc3c([n+]1CC)cc(c(c3)SC)OC)/C)/n2CC

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Saltdata: CH3C6H4SO3-
Molecular Weight: 557.85
Empirical Formula: C28H33N2O2S4

Physical State: Dry powder
Available Amount: 551 mg

Lipinsky:
logP: 0
Rotatable bonds: 9
H-donors: 0
H-acceptors: 2
PSA: 129
Number of rings: 4

     

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