Vitas-M small molecule compound
1-[4-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-ylsulfonyl)phenyl]ethanone
Catalog ID
STK574549
SMILES CC(=O)c1ccc(cc1)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 C20H21NO5S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5S/c1-14(22)15-3-5-18(6-4-15)27(23,24)21-8-7-16-11-19-20(12-17(16)13-21)26-10-2-9-25-19/h3-6,11-12H,2,7-10,13H2,1H3InChIKey
CFHCFLORYJPGOF-UHFFFAOYSA-NSynonyms
902305-93-51(4((34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)sulfonyl)phenyl)ethanone
1(4(2347910hexahydro(14)dioxepino(23g)isoquinolin8ylsulfonyl)phenyl)ethanone
1(4(34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)ylsulfonyl)phenyl)ethanone
902305935
CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(C=C3C2)OCCCO4
InChI=1SC20H21NO5Sc114(22)153518(6415)27(2324)218716111920(1217(16)1321)2610292519h361112H271013H21H3
MFCD06789474
ZINC000005347210
ZINC05347210
ZINC5347210
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