Vitas-M small molecule compound

[4-(difluoromethoxy)-3-ethoxyphenyl](7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone

Catalog ID
STK586825
SMILES CCOc1cc(ccc1OC(F)F)C(=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 C23H25F2NO5 MW 433.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25F2NO5/c1-3-28-19-12-16(5-6-18(19)31-23(24)25)22(27)26-8-7-15-11-20-21(13-17(15)14(26)2)30-10-4-9-29-20/h5-6,11-14,23H,3-4,7-10H2,1-2H3
InChIKey
LKPUWDNCHWABIH-UHFFFAOYSA-N
Synonyms
879582-62-4
(4(difluoromethoxy)3ethoxyphenyl)(7methyl2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)methanone
(4(difluoromethoxy)3ethoxyphenyl)(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)methanone
879582624
CCOC1=C(C=CC(=C1)C(=O)N2CCC3=CC4=C(C=C3C2C)OCCCO4)OC(F)F
InChI=1SC23H25F2NO5c1328191216(5618(19)3123(24)25)22(27)268715112021(1317(15)14(26)2)3010492920h56111423H34710H212H3
MFCD07637992
ZINC000009430326
ZINC000013576360

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Available files

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