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3-{5-phenyl-2-[(1E)-2-{(Z)-[5-phenyl-3-(3-sulfopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}but-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate

Catalog ID
STK367800
SMILES CC/C(=C\c1sc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)c1ccccc1)/C=c/1\sc2c(n1CCCS(=O)(=O)O)cc(cc2)c1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C37H36N2O6S4 MW 732.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H36N2O6S4/c1-2-27(23-36-38(19-9-21-48(40,41)42)32-25-30(15-17-34(32)46-36)28-11-5-3-6-12-28)24-37-39(20-10-22-49(43,44)45)33-26-31(16-18-35(33)47-37)29-13-7-4-8-14-29/h3-8,11-18,23-26H,2,9-10,19-22H2,1H3,(H-,40,41,42,43,44,45)
InChIKey
UYCPAILJNQDEKB-UHFFFAOYSA-N
Synonyms

3(5phenyl2((1E)2((Z)(5phenyl3(3sulfopropyl)13benzothiazol2(3H)ylidene)methyl)but1en1yl)13benzothiazol3ium3yl)propane1sulfonate
3(5PHENYL2(2((5PHENYL3(3SULFOPROPYL)13BENZOTHIAZOL3IUM2YL)METHYLIDENE)BUTYLIDENE)13BENZOTHIAZOL3(2H)YL)PROPANE1SULFONATE
3(5PHENYL2(2((5PHENYL3(3SULFOPROPYL)13BENZOTHIAZOL3IUM2YL)METHYLIDENE)BUTYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONATE
CCC(=CC1=(N+)(C2=C(S1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4N(C5=C(S4)C=CC(=C5)C6=CC=CC=C6)CCCS(=O)(=O)(O)
CCC(=Cc1sc2c((n+)1CCCS(=O)(=O)(O))cc(cc2)c1ccccc1)C=c1sc2c(n1CCCS(=O)(=O)O)cc(cc2)c1ccccc1
InChI=1SC37H36N2O6S4c1227(233638(1992148(4041)42)322530(151734(32)4636)28115361228)243739(20102249(4344)45)332631(161835(33)4737)29137481429h3811182326H29101922H21H3(H404142434445)
MFCD01010179
ZINC000004013450

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Available files

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