Vitas-M small molecule compound
[4-(difluoromethoxy)-3-ethoxyphenyl](7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone
Catalog ID
STK584171
SMILES CCOc1cc(ccc1OC(F)F)C(=O)N1CCc2c(C1=C)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 C23H23F2NO5 MW 431.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23F2NO5/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/h5-6,11-13,23H,2-4,7-10H2,1H3InChIKey
QXWDOMHCOCWGNW-UHFFFAOYSA-NSynonyms
883954-84-5(4(difluoromethoxy)3ethoxyphenyl)(7methylene34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)methanone
(4(difluoromethoxy)3ethoxyphenyl)(7methylidene34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)methanone
(4(difluoromethoxy)3ethoxyphenyl)(7methylidene34910tetrahydro2H(14)dioxepino(23g)isoquinolin8yl)methanone
883954845
CCOC1=C(C=CC(=C1)C(=O)N2CCC3=CC4=C(C=C3C2=C)OCCCO4)OC(F)F
InChI=1SC23H23F2NO5c1328191216(5618(19)3123(24)25)22(27)268715112021(1317(15)14(26)2)3010492920h56111323H24710H21H3
MFCD07639553
ZINC000013591236
ZINC13591236
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