Vitas-M small molecule compound
3-{5-methoxy-2-[(1Z)-2-(methylsulfanyl)but-1-en-1-yl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl}propane-1-sulfonate
Catalog ID
STK874225
SMILES CC/C(=C/c1sc2c([n+]1CCCS(=O)(=O)[O-])c1sccc1c(c2)OC)/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 C18H21NO4S4 MW 443.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO4S4/c1-4-12(24-3)10-16-19(7-5-9-27(20,21)22)17-15(26-16)11-14(23-2)13-6-8-25-18(13)17/h6,8,10-11H,4-5,7,9H2,1-3H3/b12-10-InChIKey
IZTLGIIUMNPMMF-BENRWUELSA-NSynonyms
317376-29-7(Z)3(5methoxy2(2(methylthio)but1en1yl)thieno(3256)benzo(12d)thiazol1ium1yl)propane1sulfonate
3(5methoxy2((1Z)2(methylsulfanyl)but1en1yl)thieno(23e)(13)benzothiazol1ium1yl)propane1sulfonate
3(5METHOXY2((Z)2METHYLSULFANYLBUT1ENYL)THIENO(23E)(13)BENZOTHIAZOL1IUM1YL)PROPANE1SULFONATE
317376297
CCC(=CC1=(N+)(C2=C(S1)C=C(C3=C2SC=C3)OC)CCCS(=O)(=O)(O))SC
CCC(=Cc1sc2c((n+)1CCCS(=O)(=O)(O))c1sccc1c(c2)OC)SC
InChI=1SC18H21NO4S4c1412(243)101619(75927(2021)22)1715(2616)1114(232)13682518(13)17h681011H4579H213H3b1210
MFCD00551093
ZINC000001881866
ZINC01881866
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