Vitas-M small molecule compound

1-{[1-(methylsulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]sulfonyl}-2,3,4,5-tetrahydro-1H-1-benzazepine

Catalog ID
STK736587
SMILES O=S(=O)(N1CCCCc2c1cccc2)c1ccc2c(c1)CCCN2S(=O)(=O)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 C20H24N2O4S2 MW 420.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O4S2/c1-27(23,24)21-14-6-9-17-15-18(11-12-20(17)21)28(25,26)22-13-5-4-8-16-7-2-3-10-19(16)22/h2-3,7,10-12,15H,4-6,8-9,13-14H2,1H3
InChIKey
FDLIEUGCWULSND-UHFFFAOYSA-N
Synonyms

1((1(methylsulfonyl)1234tetrahydroquinolin6yl)sulfonyl)2345tetrahydro1H1benzazepine
1((1methylsulfonyl34dihydro2Hquinolin6yl)sulfonyl)2345tetrahydro1benzazepine
CS(=O)(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC4=CC=CC=C43
InChI=1SC20H24N2O4S2c127(2324)211469171518(111220(17)21)28(2526)2213548167231019(16)22h237101215H46891314H21H3
MFCD07800506
ZINC000004788911
ZINC04788911
ZINC4788911

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Available files

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