Vitas-M small molecule compound

8-[(2,4,6-trimethylphenyl)sulfonyl]-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline

Catalog ID
STK595293
SMILES Cc1cc(C)c(c(c1)C)S(=O)(=O)N1CCc2c(C1)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/c1-14-9-15(2)21(16(3)10-14)27(23,24)22-6-5-17-11-19-20(12-18(17)13-22)26-8-4-7-25-19/h9-12H,4-8,13H2,1-3H3
InChIKey
RXTBQQUOAUPHNF-UHFFFAOYSA-N
Synonyms
903455-20-9
8((246trimethylphenyl)sulfonyl)3478910hexahydro2H(14)dioxepino(23g)isoquinoline
8(246trimethylphenyl)sulfonyl2347910hexahydro(14)dioxepino(23g)isoquinoline
8(mesitylsulfonyl)3478910hexahydro2H(14)dioxepino(23g)isoquinoline
903455209
CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC3=CC4=C(C=C3C2)OCCCO4)C
InChI=1SC21H25NO4Sc114915(2)21(16(3)1014)27(2324)226517111920(1218(17)1322)268472519h912H4813H213H3
MFCD06794744
ZINC000005352179
ZINC05352179
ZINC5352179

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Available files

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