Vitas-M small molecule compound
3-{2-[(1Z)-2-(methylsulfanyl)but-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium-1-yl}propane-1-sulfonate
Catalog ID
STK396432
SMILES CC/C(=C/c1sc2c([n+]1CCCS(=O)(=O)[O-])c1ccccc1cc2)/SC
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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 C19H21NO3S3 MW 407.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO3S3/c1-3-15(24-2)13-18-20(11-6-12-26(21,22)23)19-16-8-5-4-7-14(16)9-10-17(19)25-18/h4-5,7-10,13H,3,6,11-12H2,1-2H3/b15-13-InChIKey
BPPUDEPKNJZROQ-SQFISAMPSA-NSynonyms
3(2((1Z)2(methylsulfanyl)but1en1yl)naphtho(12d)(13)thiazol1ium1yl)propane1sulfonate
3(2((1Z)2METHYLTHIOBUT1ENYL)BENZO(E)BENZOTHIAZOLYL)PROPANESULFONICACID
3(2((Z)2METHYLSULFANYLBUT1ENYL)BENZO(E)(13)BENZOTHIAZOL1IUM1YL)PROPANE1SULFONATE
CCC(=CC1=(N+)(C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)(O))SC
CCC(=Cc1sc2c((n+)1CCCS(=O)(=O)(O))c1ccccc1cc2)SC
InChI=1SC19H21NO3S3c1315(242)131820(1161226(2122)23)1916854714(16)91017(19)2518h4571013H361112H212H3b1513
MFCD00377514
ZINC000001919902
ZINC01919902
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