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N,N-diethylethanaminium 3-[(2Z)-2-{[5-methoxy-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene}naphtho[1,2-d][1,3]thiazol-1(2H)-yl]propane-1-sulfonate

Catalog ID
STK060996
SMILES CC[NH+](CC)CC.COc1ccc2c(c1)[n+](CCCS(=O)(=O)[O-])c(s2)/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 C32H41N3O7S4 MW 707.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O7S4.C6H15N/c1-35-19-9-11-22-21(16-19)27(12-4-14-38(29,30)31)24(36-22)17-25-28(13-5-15-39(32,33)34)26-20-7-3-2-6-18(20)8-10-23(26)37-25;1-4-7(5-2)6-3/h2-3,6-11,16-17H,4-5,12-15H2,1H3,(H-,29,30,31,32,33,34);4-6H2,1-3H3
InChIKey
CENOURTWKFERQO-UHFFFAOYSA-N
Synonyms
68392-94-9
3((2Z)5methoxy2((1(3sulfonatopropyl)benzo(e)(13)benzothiazol1ium2yl)methylidene)13benzothiazol3yl)propane1sulfonatetriethylazanium
68392949
CC(NH+)(CC)CCCOC1=CC2=C(C=C1)SC(=CC3=(N+)(C4=C(S3)C=CC5=CC=CC=C54)CCCS(=O)(=O)(O))N2CCCS(=O)(=O)(O)
CC(NH+)(CC)CCCOc1ccc2c(c1)(n+)(CCCS(=O)(=O)(O))c(s2)C=c1sc2c(n1CCCS(=O)(=O)(O))c1ccccc1cc2
InChI=1SC26H26N2O7S4C6H15Nc135199112221(1619)27(1241438(2930)31)24(3622)172528(1351539(3233)34)2620732618(20)81023(26)3725147(52)63h236111617H451215H21H3(H293031323334)46H213H3
MFCD00143053
NNDIETHYLETHANAMINIUM3((2Z)2((5METHOXY3(3SULFONATOPROPYL)13BENZOTHIAZOL3IUM2YL)METHYLIDENE)NAPHTHO(12D)(13)THIAZOL1(2H)YL)PROPANE1SULFONATE
STK060996
ZINC000004044262

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Available files

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