Vitas-M small molecule compound

8-[(3,4-dichlorophenyl)sulfonyl]-7-methyl-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline

Catalog ID
STK583677
SMILES Clc1cc(ccc1Cl)S(=O)(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1

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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 C19H19Cl2NO4S MW 428.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19Cl2NO4S/c1-12-15-11-19-18(25-7-2-8-26-19)9-13(15)5-6-22(12)27(23,24)14-3-4-16(20)17(21)10-14/h3-4,9-12H,2,5-8H2,1H3
InChIKey
OQKGQFDXLCLEES-UHFFFAOYSA-N
Synonyms
879585-59-8
8((34dichlorophenyl)sulfonyl)7methyl3478910hexahydro2H(14)dioxepino(23g)isoquinoline
8(34dichlorophenyl)sulfonyl7methyl2347910hexahydro(14)dioxepino(23g)isoquinoline
879585598
CC1C2=CC3=C(C=C2CCN1S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl)OCCCO3
InChI=1SC19H19Cl2NO4Sc11215111918(257282619)913(15)5622(12)27(2324)143416(20)17(21)1014h34912H258H21H3
MFCD07639521
ZINC000009059061
ZINC000009059062

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Available files

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