Vitas-M small molecule compound

2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-1-(3-methylbutyl)pyridinium

Catalog ID
STL322168
SMILES CC(CC[n+]1ccccc1/C=C/c1ccc(cc1)N(C)C)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 C20H27N2 MW 295.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N2/c1-17(2)14-16-22-15-6-5-7-20(22)13-10-18-8-11-19(12-9-18)21(3)4/h5-13,15,17H,14,16H2,1-4H3/q+1
InChIKey
ZHDVXQGSDBZJAD-UHFFFAOYSA-N
Synonyms

(4((E)2(1ISOAMYLPYRIDIN1IUM2YL)VINYL)PHENYL)DIMETHYLAMINEIODIDE
2((E)2(4(dimethylamino)phenyl)ethenyl)1(3methylbutyl)pyridinium
2((E)2(4(DIMETHYLAMINO)PHENYL)VINYL)1(3METHYLBUTYL)PYRIDINIUM
2(2(4(DIMETHYLAMINO)PHENYL)ETHENYL)1(3METHYLBUTYL)PYRIDINIUM
CC(C)CC(N+)1=CC=CC=C1C=CC2=CC=C(C=C2)N(C)C
CC(CC(n+)1ccccc1C=Cc1ccc(cc1)N(C)C)C
InChI=1SC20H27N2c117(2)1416221565720(22)13101881119(12918)21(3)4h5131517H1416H214H3q+1
MFCD01086330
NNDIMETHYL4((E)2(1(3METHYLBUTYL)2PYRIDIN1IUMYL)ETHENYL)ANILINEIODIDE
NNDIMETHYL4((E)2(1(3METHYLBUTYL)PYRIDIN1IUM2YL)ETHENYL)ANILINE
NNDIMETHYL4((E)2(1(3METHYLBUTYL)PYRIDIN1IUM2YL)ETHENYL)ANILINEIODIDE
NNDIMETHYL4(2(1(3METHYLBUTYL)PYRIDIN1IUM2YL)ETHENYL)ANILINE
ZINC000004133086
ZINC04133088
ZINC4133086

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.