Vitas-M small molecule compound
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]acetamide
Catalog ID
STL504841
SMILES O=C(Cn1c2cc3OCCOc3cc2nc1C(F)(F)F)NC(c1ccc2c(c1)OCCCO2)C
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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 C23H22F3N3O5 MW 477.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22F3N3O5/c1-13(14-3-4-17-18(9-14)32-6-2-5-31-17)27-21(30)12-29-16-11-20-19(33-7-8-34-20)10-15(16)28-22(29)23(24,25)26/h3-4,9-11,13H,2,5-8,12H2,1H3,(H,27,30)InChIKey
OPPTWVCMEGKWLI-UHFFFAOYSA-NSynonyms
~(N)(1(34dihydro2~(H)15benzodioxepin7yl)ethyl)2(2(trifluoromethyl)67dihydro(14)dioxino(23f)benzimidazol3yl)acetamide
45922698
InChI=1SC23H22F3N3O5c113(14341718(914)326253117)2721(30)122916112019(33783420)1015(16)2822(29)23(2425)26h3491113H25812H21H3(H2730)
MFCD27594847
N(1(34dihydro2H15benzodioxepin7yl)ethyl)2(2(trifluoromethyl)67dihydro1H(14)dioxino(23f)benzimidazol1yl)acetamide
ZINC000064814349
ZINC000064814351
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