Vitas-M small molecule compound
(2'R,3S,3aR,8aR,9aR)-8a-methyl-3-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)decahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one hydrochloride
Catalog ID
STL553165
SMILES O=C1O[C@H]2[C@@H](C1C[NH+]1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1[C@](C2)(C)CCC[C@]21OC2
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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 C26H34F3N2O3 MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33F3N2O3/c1-24-6-3-7-25(16-33-25)22(24)13-19-20(23(32)34-21(19)14-24)15-30-8-10-31(11-9-30)18-5-2-4-17(12-18)26(27,28)29/h2,4-5,12,19-22H,3,6-11,13-16H2,1H3/p+1/t19-,20?,21-,22?,24-,25+/m1/s1InChIKey
FQIIHRRVNVYASB-FKMQAYIFSA-OSynonyms
(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl3((4(3(trifluoromethyl)phenyl)piperazin1ium1yl)methyl)spiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
135640887
InChI=1SC26H33F3N2O3c12463725(163325)22(24)131920(23(32)3421(19)1424)153081031(11930)1852417(1218)26(2728)29h245121922H36111316H21H3p+1t1920?2122?2425+m1s1
ZINC000059415086
ZINC000061997537
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