Vitas-M small molecule compound

1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2,3-dimethylpyridinium

Catalog ID
STL332585
SMILES CCC(c1cc(ccc1OCCCC[n+]1cccc(c1C)C)C(CC)(C)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 C27H42NO MW 396.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42NO/c1-9-26(5,6)23-15-16-25(24(20-23)27(7,8)10-2)29-19-12-11-17-28-18-13-14-21(3)22(28)4/h13-16,18,20H,9-12,17,19H2,1-8H3/q+1
InChIKey
FBKDVLVCTRMCFG-UHFFFAOYSA-N
Synonyms

1(4(24BIS(11DIMETHYLPROPYL)PHENOXY)BUTYL)23DIMETHYLPYRIDINIUM
1(4(24BIS(2METHYLBUTAN2YL)PHENOXY)BUTYL)23DIMETHYLPYRIDIN1IUM
1(4(24BIS(2METHYLBUTAN2YL)PHENOXY)BUTYL)23DIMETHYLPYRIDIN1IUMBROMIDE
1(4(24bis(2methylbutan2yl)phenoxy)butyl)23dimethylpyridinium
1(4(24DITERTAMYLPHENOXY)BUTYL)23DIMETHYLPYRIDIN1IUMBROMIDE
CCC(C)(C)C1=CC(=C(C=C1)OCCCC(N+)2=CC=CC(=C2C)C)C(C)(C)CC
CCC(c1cc(ccc1OCCCC(n+)1cccc(c1C)C)C(CC)(C)C)(C)C
InChI=1SC27H42NOc1926(56)23151625(24(2023)27(78)102)29191211172818131421(3)22(28)4h13161820H9121719H218H3q+1
MFCD01246664
ZINC000001868024
ZINC01868024
ZINC1868024

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Available files

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