Vitas-M small molecule compound

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

Catalog ID
STK575533
SMILES Cc1cc(ccc1C)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 C21H25NO4S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4S/c1-14-5-6-18(11-15(14)2)27(23,24)22-8-7-17-12-20-21(13-19(17)16(22)3)26-10-4-9-25-20/h5-6,11-13,16H,4,7-10H2,1-3H3
InChIKey
GSOFVHHMOHGWFF-UHFFFAOYSA-N
Synonyms
904515-99-7
8((34dimethylphenyl)sulfonyl)7methyl3478910hexahydro2H(14)dioxepino(23g)isoquinoline
8(34dimethylphenyl)sulfonyl7methyl2347910hexahydro(14)dioxepino(23g)isoquinoline
904515997
CC1C2=CC3=C(C=C2CCN1S(=O)(=O)C4=CC(=C(C=C4)C)C)OCCCO3
InChI=1SC21H25NO4Sc1145618(1115(14)2)27(2324)228717122021(1319(17)16(22)3)2610492520h56111316H4710H213H3
MFCD07639398
ZINC000005427091
ZINC000005427095

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Available files

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