Vitas-M small molecule compound
2-[(E)-2-(dimethylamino)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium
Catalog ID
STL146187
SMILES CC[n+]1c(/C=C/N(C)C)sc2c1cccc2
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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 C13H17N2S MW 233.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N2S/c1-4-15-11-7-5-6-8-12(11)16-13(15)9-10-14(2)3/h5-10H,4H2,1-3H3/q+1InChIKey
UYNXHUOESPMDFA-UHFFFAOYSA-NSynonyms
((2E)2(3ETHYL13BENZOTHIAZOL2YLIDENE)ETHYLIDENE)DIMETHYLAZANIUM
((2Z)2(3ETHYL13BENZOTHIAZOL2YLIDENE)ETHYLIDENE)DIMETHYLAZANIUM
2((E)2(dimethylamino)ethenyl)3ethyl13benzothiazol3ium
2(3ETHYL13BENZOTHIAZOL2YLIDENE)ETHYLIDENEDIMETHYLAZANIUM
CC(n+)1c(C=CN(C)C)sc2c1cccc2
CCN1C2=CC=CC=C2SC1=CC=(N+)(C)C
InChI=1SC13H17N2Sc141511756812(11)1613(15)91014(2)3h510H4H213H3q+1
MFCD01037799
ZINC000049722546
ZINC49722546
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