Vitas-M small molecule compound
[1-(3-fluorophenyl)cyclopentyl](7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone
Catalog ID
STK590107
SMILES Fc1cccc(c1)C1(CCCC1)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 C25H26FNO3 MW 407.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26FNO3/c1-17-21-16-23-22(29-12-5-13-30-23)14-18(21)8-11-27(17)24(28)25(9-2-3-10-25)19-6-4-7-20(26)15-19/h4,6-7,14-16H,1-3,5,8-13H2InChIKey
NDKNJODUIXCWRU-UHFFFAOYSA-NSynonyms
879768-41-9(1(3fluorophenyl)cyclopentyl)(7methylene34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)methanone
(1(3fluorophenyl)cyclopentyl)(7methylidene34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)methanone
(1(3fluorophenyl)cyclopentyl)(7methylidene34910tetrahydro2H(14)dioxepino(23g)isoquinolin8yl)methanone
879768419
C=C1C2=CC3=C(C=C2CCN1C(=O)C4(CCCC4)C5=CC(=CC=C5)F)OCCCO3
InChI=1SC25H26FNO3c11721162322(29125133023)1418(21)81127(17)24(28)25(9231025)1964720(26)1519h4671416H135813H2
MFCD07640008
ZINC000005429121
ZINC05429121
ZINC5429121
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