Vitas-M small molecule compound

3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate

Catalog ID
STK396251
SMILES Cc1sc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)Cl

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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 C11H12ClNO3S2 MW 305.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12ClNO3S2/c1-8-13(5-2-6-18(14,15)16)10-7-9(12)3-4-11(10)17-8/h3-4,7H,2,5-6H2,1H3
InChIKey
MMERGMYXQLSZMU-UHFFFAOYSA-N
Synonyms
65287-04-9
3(5chloro2methyl13benzothiazol3ium3yl)propane1sulfonate
3(5CHLORO2METHYLBENZOTHIAZOL3YL)PROPANESULFONICACID
5CHLORO2METHYL3BENZOTHIAZOLIUMINNERSALT
65287049
CC1=(N+)(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)(O)
Cc1sc2c((n+)1CCCS(=O)(=O)(O))cc(cc2)Cl
InChI=1SC11H12ClNO3S2c1813(52618(1415)16)1079(12)3411(10)178h347H256H21H3
MFCD00186325
ZINC000002831196
ZINC02831196

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Available files

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