Vitas-M small molecule compound

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

Catalog ID
STK598540
SMILES Clc1cccc(c1)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 C19H20ClNO4S MW 393.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClNO4S/c1-13-17-12-19-18(24-8-3-9-25-19)10-14(17)6-7-21(13)26(22,23)16-5-2-4-15(20)11-16/h2,4-5,10-13H,3,6-9H2,1H3
InChIKey
GQGASCCCPOGGQC-UHFFFAOYSA-N
Synonyms
883950-66-1
8((3chlorophenyl)sulfonyl)7methyl3478910hexahydro2H(14)dioxepino(23g)isoquinoline
8(3chlorophenyl)sulfonyl7methyl2347910hexahydro(14)dioxepino(23g)isoquinoline
883950661
CC1C2=CC3=C(C=C2CCN1S(=O)(=O)C4=CC(=CC=C4)Cl)OCCCO3
InChI=1SC19H20ClNO4Sc11317121918(248392519)1014(17)6721(13)26(2223)1652415(20)1116h2451013H369H21H3
MFCD07638860
ZINC000005423036
ZINC000005423042

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Available files

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