Vitas-M small molecule compound

2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indolium

Catalog ID
STK380619
SMILES COc1cc(ccc1OC)/C=C/C1=[N+](C)c2c(C1(C)C)cccc2

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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 C21H24NO2 MW 322.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24NO2/c1-21(2)16-8-6-7-9-17(16)22(3)20(21)13-11-15-10-12-18(23-4)19(14-15)24-5/h6-14H,1-5H3/q+1/b13-11+
InChIKey
IAZWOYFMQJUDLW-ACCUITESSA-N
Synonyms

2((E)2(34dimethoxyphenyl)ethenyl)133trimethyl3Hindolium
2((E)2(34DIMETHOXYPHENYL)ETHENYL)133TRIMETHYLINDOL1IUM
CC1(C2=CC=CC=C2(N+)(=C1C=CC3=CC(=C(C=C3)OC)OC)C)C
COc1cc(ccc1OC)C=CC1=(N+)(C)c2c(C1(C)C)cccc2
InChI=1SC21H24NO2c121(2)16867917(16)22(3)20(21)131115101218(234)19(1415)245h614H15H3q+1b1311+
MFCD01971219
ZINC000004506069
ZINC04506069
ZINC4506069

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Available files

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