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3-[(2Z)-2-[(2E)-2-{[1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium-2-yl]methylidene}butylidene]naphtho[1,2-d][1,3]thiazol-1(2H)-yl]propane-1-sulfonate

Catalog ID
STK367949
SMILES CC/C(=C\c1sc2c([n+]1CCCS(=O)(=O)[O-])c1ccccc1cc2)/C=c/1\sc2c(n1CCCS(=O)(=O)[O-])c1ccccc1cc2

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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 C33H31N2O6S4 MW 679.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O6S4/c1-2-23(21-30-34(17-7-19-44(36,37)38)32-26-11-5-3-9-24(26)13-15-28(32)42-30)22-31-35(18-8-20-45(39,40)41)33-27-12-6-4-10-25(27)14-16-29(33)43-31/h3-6,9-16,21-22H,2,7-8,17-20H2,1H3,(H-,36,37,38,39,40,41)/p-1
InChIKey
LJJASSFOPDYCPC-UHFFFAOYSA-M
Synonyms

3((2Z)2((2E)2((1(3SULFONATOPROPYL)BENZO(E)(13)BENZOTHIAZOL1IUM2YL)METHYLIDENE)BUTYLIDENE)BENZO(E)(13)BENZOTHIAZOL1YL)PROPANE1SULFONATE
3((2Z)2((2E)2((1(3sulfonatopropyl)naphtho(12d)(13)thiazol1ium2yl)methylidene)butylidene)naphtho(12d)(13)thiazol1(2H)yl)propane1sulfonate
3(2(2((1(3SULFONATOPROPYL)BENZO(E)(13)BENZOTHIAZOL1IUM2YL)METHYLIDENE)BUTYLIDENE)BENZO(E)(13)BENZOTHIAZOL1YL)PROPANE1SULFONATE
CCC(=CC1=(N+)(C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)(O))C=C4N(C5=C(S4)C=CC6=CC=CC=C65)CCCS(=O)(=O)(O)
CCC(=Cc1sc2c((n+)1CCCS(=O)(=O)(O))c1ccccc1cc2)C=c1sc2c(n1CCCS(=O)(=O)(O))c1ccccc1cc2
InChI=1SC33H32N2O6S4c1223(213034(1771944(3637)38)32261153924(26)131528(32)4230)223135(1882045(3940)41)332712641025(27)141629(33)4331h369162122H2781720H21H3(H363738394041)p1
MFCD00991590
ZINC000004551969

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Available files

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