Vitas-M small molecule compound

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

Catalog ID
STK594015
SMILES O=S(=O)(c1ccc2c(c1)OCCO2)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 C20H21NO6S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO6S/c22-28(23,16-2-3-17-20(12-16)27-9-8-26-17)21-5-4-14-10-18-19(11-15(14)13-21)25-7-1-6-24-18/h2-3,10-12H,1,4-9,13H2
InChIKey
LZVNQXOOQJHVJC-UHFFFAOYSA-N
Synonyms
883960-52-9
8((23dihydrobenzo(b)(14)dioxin6yl)sulfonyl)3478910hexahydro2H(14)dioxepino(23g)isoquinoline
8(23dihydro14benzodioxin6ylsulfonyl)2347910hexahydro(14)dioxepino(23g)isoquinoline
8(23dihydro14benzodioxin6ylsulfonyl)3478910hexahydro2H(14)dioxepino(23g)isoquinoline
883960529
C1COC2=C(C=C3CN(CCC3=C2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5)OC1
InChI=1SC20H21NO6Sc2228(2316231720(1216)27982617)215414101819(1115(14)1321)257162418h231012H14913H2
MFCD06793058
ZINC000005349922
ZINC05349922
ZINC5349922

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Available files

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