Vitas-M small molecule compound

Catalog ID
STL059252
SMILES c1ccc(cc1)c1c2C[N+]3(Cc2cc2c1cccc2)CCCC3

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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 C22H22N MW 300.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N/c1-2-8-17(9-3-1)22-20-11-5-4-10-18(20)14-19-15-23(16-21(19)22)12-6-7-13-23/h1-5,8-11,14H,6-7,12-13,15-16H2/q+1
InChIKey
ILJGNHUZVHYZDK-UHFFFAOYSA-N
Synonyms

4phenyl13dihydrospiro(benzo(f)isoindole21pyrrolidin)1iumbromide
4PHENYLSPIRO(13DIHYDROBENZO(F)ISOINDOL2IUM21AZOLIDIN1IUM)
4PHENYLSPIRO(BENZO(F)ISOINDOLINE21PYRROLIDINE)
C1CC(N+)2(C1)CC3=CC4=CC=CC=C4C(=C3C2)C5=CC=CC=C5
c1ccc(cc1)c1c2C(N+)3(Cc2cc2c1cccc2)CCCC3
c1ccc(cc1)c1c2C(N+)3(Cc2cc2c1cccc2)CCCC3(Br)
InChI=1SC22H22Nc12817(931)222011541018(20)14191523(1621(19)22)12671323h1581114H6712131516H2q+1
MFCD00698658
ZINC000004311794
ZINC04311794
ZINC4311794

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Available files

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