Vitas-M small molecule compound
3-{2-[(1E)-2-(methylsulfanyl)prop-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Catalog ID
STK396380
SMILES CS/C(=C/c1sc2c([n+]1CCCS(=O)(=O)[O-])cccc2)/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 C14H17NO3S3 MW 343.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17NO3S3/c1-11(19-2)10-14-15(8-5-9-21(16,17)18)12-6-3-4-7-13(12)20-14/h3-4,6-7,10H,5,8-9H2,1-2H3/b11-10+InChIKey
QHEXCCPGDZFCPP-ZHACJKMWSA-NSynonyms
3(2((1E)2(methylsulfanyl)prop1en1yl)13benzothiazol3ium3yl)propane1sulfonate
3(2((1E)2METHYLTHIOPROP1ENYL)BENZOTHIAZOL3YL)PROPANESULFONICACID
3(2((E)2METHYLSULFANYLPROP1ENYL)13BENZOTHIAZOL3IUM3YL)PROPANE1SULFONATE
CC(=CC1=(N+)(C2=CC=CC=C2S1)CCCS(=O)(=O)(O))SC
CSC(=Cc1sc2c((n+)1CCCS(=O)(=O)(O))cccc2)C
InChI=1SC14H17NO3S3c111(192)101415(85921(1617)18)12634713(12)2014h346710H589H212H3b1110+
MFCD00643219
ZINC000004579574
ZINC04579574
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