Vitas-M small molecule compound
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Catalog ID
STK572771
SMILES O=C(CN1CCc2c(C1C)cc1c(c2)OCCCO1)Nc1ccc(c(c1)C(F)(F)F)Cl
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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 C22H22ClF3N2O3 MW 454.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClF3N2O3/c1-13-16-11-20-19(30-7-2-8-31-20)9-14(16)5-6-28(13)12-21(29)27-15-3-4-18(23)17(10-15)22(24,25)26/h3-4,9-11,13H,2,5-8,12H2,1H3,(H,27,29)InChIKey
NYELNXXHAODJRO-UHFFFAOYSA-NSynonyms
883950-72-9883950729
CC1C2=CC3=C(C=C2CCN1CC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)OCCCO3
InChI=1SC22H22ClF3N2O3c11316112019(307283120)914(16)5628(13)1221(29)27153418(23)17(1015)22(2425)26h3491113H25812H21H3(H2729)
MFCD07639278
N(4chloro3(trifluoromethyl)phenyl)2(7methyl2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)acetamide
N(4chloro3(trifluoromethyl)phenyl)2(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)acetamide
ZINC000009128822
ZINC000009128824
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