Vitas-M small molecule compound
3-{5-chloro-2-[(1E)-2-ethoxybut-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Catalog ID
STK396376
SMILES CCO/C(=C/c1sc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)Cl)/CC
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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 C16H20ClNO4S2 MW 389.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20ClNO4S2/c1-3-13(22-4-2)11-16-18(8-5-9-24(19,20)21)14-10-12(17)6-7-15(14)23-16/h6-7,10-11H,3-5,8-9H2,1-2H3/b13-11+InChIKey
TXMWRYRUHXJCSI-ACCUITESSA-NSynonyms
3(2((1E)2ETHOXYBUT1ENYL)5CHLOROBENZOTHIAZOL3YL)PROPANESULFONICACID
3(5CHLORO2((1E)2ETHOXYBUT1EN1YL)13BENZOTHIAZOL3IUM3YL)PROPANE1SULFONATE
3(5CHLORO2((E)2ETHOXYBUT1ENYL)13BENZOTHIAZOL3IUM3YL)PROPANE1SULFONATE
CCC(=CC1=(N+)(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)(O))OCC
CCOC(=Cc1sc2c((n+)1CCCS(=O)(=O)(O))cc(cc2)Cl)CC
InChI=1SC16H20ClNO4S2c1313(2242)111618(85924(1920)21)141012(17)6715(14)2316h671011H3589H212H3b1311+
MFCD00643213
ZINC000004579573
ZINC04579573
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