Vitas-M small molecule compound

5-benzyl-2-methyl-5-propyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-5-ium

Catalog ID
STL552937
SMILES CCC[N+]1(Cc2ccccc2)C2=C(c3c1cccc3)CN(CC2)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 C22H27N2 MW 319.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N2/c1-3-15-24(17-18-9-5-4-6-10-18)21-12-8-7-11-19(21)20-16-23(2)14-13-22(20)24/h4-12H,3,13-17H2,1-2H3/q+1
InChIKey
WUIPOABWRCWMQU-UHFFFAOYSA-N
Synonyms

3302896
5benzyl2methyl5propyl2345tetrahydro1Hpyrido(43b)indol5ium
5benzyl2methyl5propyl2345tetrahydro1Hpyrido(43b)indol5iumbromide
5benzyl2methyl5propyl34dihydro1~(H)pyrido(43b)indol5ium
5BENZYL2METHYL5PROPYL34DIHYDRO1HPYRIDO(43B)INDOL5IUM
CCC(N+)1(Cc2ccccc2)C2=C(c3c1cccc3)CN(CC2)C(Br)
InChI=1SC22H27N2c131524(171895461018)2112871119(21)201623(2)141322(20)24h412H31317H212H3q+1
ZINC000252462858
ZINC000252462859
ZINC20112938

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Available files

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