Vitas-M small molecule compound

3-chloro-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide

Catalog ID
STK318370
SMILES COc1ccc(cc1Cl)S(=O)(=O)N(CC(=O)N1CCc2c(C1)cccc2)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 C19H21ClN2O4S MW 408.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O4S/c1-21(27(24,25)16-7-8-18(26-2)17(20)11-16)13-19(23)22-10-9-14-5-3-4-6-15(14)12-22/h3-8,11H,9-10,12-13H2,1-2H3
InChIKey
XRWBDUGNYJIAAG-UHFFFAOYSA-N
Synonyms

3CHLORON(2(34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)4METHOXYNMETHYLBENZENESULFONAMIDE
3CHLORON(2(34DIHYDROISOQUINOLIN2(1H)YL)2OXOETHYL)4METHOXYNMETHYLBENZENESULFONAMIDE
CN(CC(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl
InChI=1SC19H21ClN2O4Sc121(27(2425)167818(262)17(20)1116)1319(23)2210914534615(14)1222h3811H9101213H212H3
MFCD05800502
ZINC000002866225
ZINC02866225
ZINC2866225

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Available files

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