Vitas-M small molecule compound

2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-3-ethyl-1,3-benzothiazol-3-ium

Catalog ID
STL059161
SMILES CC[n+]1c(/C=C/c2ccc(cc2)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 C19H21N2S MW 309.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N2S/c1-4-21-17-7-5-6-8-18(17)22-19(21)14-11-15-9-12-16(13-10-15)20(2)3/h5-14H,4H2,1-3H3/q+1
InChIKey
YWCGKTACGSLWSG-UHFFFAOYSA-N
Synonyms

(E)2(4(dimethylamino)styryl)3ethylbenzo(d)thiazol3iumiodide
2((E)2(4(dimethylamino)phenyl)ethenyl)3ethyl13benzothiazol3ium
2((E)4(DIMETHYLAMINO)STYRYL)3ETHYLBENZOTHIAZOLE3IUM
2(4(DIMETHYLAMINO)STYRYL)3ETHYLBENZOTHIAZOLIUM
4((E)2(3ETHYL13BENZOTHIAZOL3IUM2YL)ETHENYL)NNDIMETHYLANILINE
4(2(3ETHYL13BENZOTHIAZOL3IUM2YL)ETHENYL)NNDIMETHYLANILINE
785029234
CC(N+)1=C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)C
CC(n+)1c(C=Cc2ccc(cc2)N(C)C)sc2c1cccc2
CC(n+)1c(C=Cc2ccc(cc2)N(C)C)sc2c1cccc2(I)
InChI=1SC19H21N2Sc142117756818(17)2219(21)14111591216(131015)20(2)3h514H4H213H3q+1
ZINC000004750617
ZINC04750617
ZINC4750617

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Available files

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