Vitas-M small molecule compound
3-(2-methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate
Catalog ID
STK396287
SMILES Cc1sc2c([n+]1CCCS(=O)(=O)[O-])c1ccsc1cc2
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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 C13H13NO3S3 MW 327.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13NO3S3/c1-9-14(6-2-8-20(15,16)17)13-10-5-7-18-11(10)3-4-12(13)19-9/h3-5,7H,2,6,8H2,1H3InChIKey
KCQGNKZNFMTJEQ-UHFFFAOYSA-NSynonyms
295346-19-9295346199
3(2methylthieno(32e)(13)benzothiazol1ium1yl)propane1sulfonate
3(2METHYLTHIOPHENO(32E)BENZOTHIAZOLYL)PROPANESULFONICACID
CC1=(N+)(C2=C(S1)C=CC3=C2C=CS3)CCCS(=O)(=O)(O)
Cc1sc2c((n+)1CCCS(=O)(=O)(O))c1ccsc1cc2
InChI=1SC13H13NO3S3c1914(62820(1516)17)1310571811(10)3412(13)199h357H268H21H3
MFCD00473557
ZINC000002566329
ZINC02566329
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