Vitas-M small molecule compound

2,2-dibutyl-2,3-dihydro-1H-benzo[f]isoindolium

Catalog ID
STL321286
SMILES CCCC[N+]1(CCCC)Cc2c(C1)cc1c(c2)cccc1

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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 C20H28N MW 282.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N/c1-3-5-11-21(12-6-4-2)15-19-13-17-9-7-8-10-18(17)14-20(19)16-21/h7-10,13-14H,3-6,11-12,15-16H2,1-2H3/q+1
InChIKey
YHEVKPWXYXQURS-UHFFFAOYSA-N
Synonyms
22DIBUTYL13DIHYDROBENZO(F)ISOINDOL2IUM
22dibutyl23dihydro1Hbenzo(f)isoindol2iumbromide
22dibutyl23dihydro1Hbenzo(f)isoindolium
22DIBUTYLBENZO(F)ISOINDOLINE
CCCC(N+)1(CC2=CC3=CC=CC=C3C=C2C1)CCCC
CCCC(N+)1(CCCC)Cc2c(C1)cc1c(c2)cccc1
CCCC(N+)1(CCCC)Cc2c(C1)cc1c(c2)cccc1(Br)
Registry IDs
MFCD00484025
ZINC000001902930
ZINC01902930
ZINC1902930

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Available files

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