Vitas-M small molecule compound

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

Catalog ID
STK571652
SMILES CC1c2cc3OCCCOc3cc2CCN1S(=O)(=O)c1ccc2c(c1)OCCO2

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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 C21H23NO6S MW 417.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO6S/c1-14-17-13-21-19(25-7-2-8-26-21)11-15(17)5-6-22(14)29(23,24)16-3-4-18-20(12-16)28-10-9-27-18/h3-4,11-14H,2,5-10H2,1H3
InChIKey
KDHVHXUKVUCESP-UHFFFAOYSA-N
Synonyms
879564-65-5
8((23dihydrobenzo(b)(14)dioxin6yl)sulfonyl)7methyl3478910hexahydro2H(14)dioxepino(23g)isoquinoline
8(23dihydro14benzodioxin6ylsulfonyl)7methyl2347910hexahydro(14)dioxepino(23g)isoquinoline
8(23dihydro14benzodioxin6ylsulfonyl)7methyl3478910hexahydro2H(14)dioxepino(23g)isoquinoline
879564655
CC1C2=CC3=C(C=C2CCN1S(=O)(=O)C4=CC5=C(C=C4)OCCO5)OCCCO3
InChI=1SC21H23NO6Sc11417132119(257282621)1115(17)5622(14)29(2324)16341820(1216)281092718h341114H2510H21H3
MFCD07639573
ZINC000005427818
ZINC000005427822

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Available files

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