Vitas-M small molecule compound

[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl][(4-methylphenyl)sulfonyl]acetonitrile

Catalog ID
STK548414
SMILES N#CC(S(=O)(=O)c1ccc(cc1)C)c1nc2ccccc2nc1N1CCC(CC1)Cc1ccccc1

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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 C29H28N4O2S MW 496.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O2S/c1-21-11-13-24(14-12-21)36(34,35)27(20-30)28-29(32-26-10-6-5-9-25(26)31-28)33-17-15-23(16-18-33)19-22-7-3-2-4-8-22/h2-14,23,27H,15-19H2,1H3
InChIKey
LRGKJKXZDKJLNG-UHFFFAOYSA-N
Synonyms
797797-99-0
(2R)(3(4BENZYLPIPERIDIN1YL)QUINOXALIN2YL)((4METHYLPHENYL)SULFONYL)ETHANENITRILE
(2S)(3(4BENZYLPIPERIDIN1YL)QUINOXALIN2YL)((4METHYLPHENYL)SULFONYL)ETHANENITRILE
(3(4benzylpiperidin1yl)quinoxalin2yl)((4methylphenyl)sulfonyl)acetonitrile
2(3(4BENZYLPIPERIDIN1YL)QUINOXALIN2YL)2(4METHYLPHENYL)SULFONYLACETONITRILE
2(3(4benzylpiperidin1yl)quinoxalin2yl)2tosylacetonitrile
797797990
CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCC(CC4)CC5=CC=CC=C5
InChI=1SC29H28N4O2Sc121111324(141221)36(3435)27(2030)2829(32261065925(26)3128)33171523(161833)19227324822h2142327H1519H21H3
MFCD03667927
ZINC000002195617
ZINC000002195619

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Available files

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