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

Catalog ID
STK367802
SMILES C/C(=C\c1oc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)c1ccccc1)/C=c/1\sc2c(n1CCCS(=O)(=O)O)cc(cc2)C

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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 C31H32N2O7S3 MW 640.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O7S3/c1-22-10-13-29-27(18-22)33(15-7-17-43(37,38)39)31(41-29)20-23(2)19-30-32(14-6-16-42(34,35)36)26-21-25(11-12-28(26)40-30)24-8-4-3-5-9-24/h3-5,8-13,18-21H,6-7,14-17H2,1-2H3,(H-,34,35,36,37,38,39)
InChIKey
GUUCGYOZDSPMCA-UHFFFAOYSA-N
Synonyms

3((2Z)2((E)2METHYL3(5METHYL3(3SULFOPROPYL)13BENZOTHIAZOL3IUM2YL)PROP2ENYLIDENE)5PHENYL13BENZOXAZOL3YL)PROPANE1SULFONATE
3(2((1E3Z)2methyl3(5methyl3(3sulfopropyl)13benzothiazol2(3H)ylidene)prop1en1yl)5phenyl13benzoxazol3ium3yl)propane1sulfonate
3(2(2METHYL3(5METHYL3(3SULFOPROPYL)13BENZOTHIAZOL3IUM2YL)PROP2ENYLIDENE)5PHENYL13BENZOXAZOL3YL)PROPANE1SULFONATE
3(5methyl2((3Z)2methyl3(5phenyl3(3sulfopropyl)13benzoxazol2ylidene)prop1enyl)13benzothiazol3ium3yl)propane1sulfonate
3(5METHYL2(2METHYL3(5PHENYL3(3SULFOPROPYL)13BENZOXAZOL2YLIDENE)PROP1ENYL)13BENZOTHIAZOL3IUM3YL)PROPANE1SULFONATE
CC(=Cc1oc2c((n+)1CCCS(=O)(=O)(O))cc(cc2)c1ccccc1)C=c1sc2c(n1CCCS(=O)(=O)O)cc(cc2)C
CC1=CC2=C(C=C1)SC(=(N+)2CCCS(=O)(=O)(O))C=C(C)C=C3N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CCCS(=O)(=O)O
InChI=1SC31H32N2O7S3c12210132927(1822)33(1571743(3738)39)31(4129)2023(2)193032(1461642(3435)36)262125(111228(26)4030)248435924h358131821H671417H212H3(H343536373839)
MFCD01077535

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Available files

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