Vitas-M small molecule compound
2-{(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-3-methyl-1,3-benzothiazol-3-ium
Catalog ID
STL059219
SMILES CN(c1ccc(cc1)/C=C/C=C/c1sc2c([n+]1C)cccc2)C
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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 C20H21N2S MW 321.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N2S/c1-21(2)17-14-12-16(13-15-17)8-4-7-11-20-22(3)18-9-5-6-10-19(18)23-20/h4-15H,1-3H3/q+1InChIKey
GMEBKRPJRUGDMP-UHFFFAOYSA-NSynonyms
(O)(Cl)(=O)(=O)=OCN(c1ccc(cc1)C=CC=Cc1sc2c((n+)1C)cccc2)C
2((1E3E)4(4(dimethylamino)phenyl)buta13dien1yl)3methyl13benzothiazol3ium
2((1E3E)4(4(dimethylamino)phenyl)buta13dien1yl)3methylbenzo(d)thiazol3iumperchlorate
2((1E3E)4(4DIMETHYLAMINOPHENYL)BUTA13DIENYL)3METHYLBENZOTHIAZOL3IUM
2(4(4(DIMETHYLAMINO)PHENYL)13BUTADIENYL)3METHYLBENZOTHIAZOL3IUM
C(N+)1=C(SC2=CC=CC=C21)C=CC=CC3=CC=C(C=C3)N(C)C
CN(c1ccc(cc1)C=CC=Cc1sc2c((n+)1C)cccc2)C
DIMETHYL(4((1E3E)4(3METHYL13BENZOTHIAZOL3IUM2YL)BUTA13DIENYL)PHENYL)AMINEPERCHLORATE
InChI=1SC20H21N2Sc121(2)17141216(131517)847112022(3)189561019(18)2320h415H13H3q+1
NNDIMETHYL4((1E3E)4(3METHYL13BENZOTHIAZOL3IUM2YL)BUTA13DIENYL)ANILINE
NNDIMETHYL4((1E3E)4(3METHYL13BENZOTHIAZOL3IUM2YL)BUTA13DIENYL)ANILINEPERCHLORATE
NNDIMETHYL4(4(3METHYL13BENZOTHIAZOL3IUM2YL)BUTA13DIENYL)ANILINE
ZINC000001780666
ZINC01780666
ZINC1780666
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