Vitas-M small molecule compound
2-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)-N-(2,3,4-trifluorophenyl)acetamide
Catalog ID
STK591476
SMILES O=C(Nc1ccc(c(c1F)F)F)CN1CCc2c(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 C21H21F3N2O3 MW 406.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F3N2O3/c1-12-14-10-18-17(28-7-2-8-29-18)9-13(14)5-6-26(12)11-19(27)25-16-4-3-15(22)20(23)21(16)24/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,25,27)InChIKey
XPIMYRCLMNIGNQ-UHFFFAOYSA-NSynonyms
898919-67-02(7methyl2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)N(234trifluorophenyl)acetamide
2(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)N(234trifluorophenyl)acetamide
898919670
CC1C2=CC3=C(C=C2CCN1CC(=O)NC4=C(C(=C(C=C4)F)F)F)OCCCO3
InChI=1SC21H21F3N2O3c11214101817(287282918)913(14)5626(12)1119(27)25164315(22)20(23)21(16)24h3491012H25811H21H3(H2527)
MFCD07638992
ZINC000005423665
ZINC000005423671
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