Vitas-M small molecule compound
2,2,2-trifluoro-1-[(4a'R,6'S,8a'R)-4',4a',5',6'-tetrahydrospiro[cycloheptane-1,3'-[9]oxa[2]aza[6,8a]epoxyisoquinolin]-2'(1'H)-yl]ethanone
Catalog ID
STL552856
SMILES O=C(C(F)(F)F)N1C[C@@]23C=C[C@H](O2)C[C@H]3CC21CCCCCC2
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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 C17H22F3NO2 MW 329.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22F3NO2/c18-17(19,20)14(22)21-11-16-8-5-13(23-16)9-12(16)10-15(21)6-3-1-2-4-7-15/h5,8,12-13H,1-4,6-7,9-11H2/t12-,13+,16+/m0/s1InChIKey
ZPQKAJRADSHHCE-WOSRLPQWSA-NSynonyms
836685-77-9222trifluoro1((1~(R)6~(R)8~(S))spiro(11oxa3azatricyclo(6210^(16))undec9ene41cycloheptane)3yl)ethanone
222trifluoro1((4aR6S8aR)44a56tetrahydrospiro(68aepoxyisoquinoline31cycloheptan)2(1H)yl)ethanone
222trifluoro1((4aR6S8aR)44a56tetrahydrospiro(cycloheptane13(9)oxa(2)aza(68a)epoxyisoquinolin)2(1H)yl)ethanone
7078727
836685779
InChI=1SC17H22F3NO2c1817(1920)14(22)2111168513(2316)912(16)1015(21)63124715h581213H1467911H2t1213+16+m0s1
O=C(C(F)(F)F)N1C(C@@)23C=C(C@@H)(O2)C(C@H)3CC21CCCCCC2
ZINC000004028935
ZINC4028935
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