Vitas-M small molecule compound
(1S,2S,5R)-2-[5-(4-fluorophenyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK777640
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(oc1=S)c1ccc(cc1)F
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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 C14H11FN2O4S MW 322.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11FN2O4S/c15-8-3-1-7(2-4-8)12-16-17(14(22)21-12)9-5-10(18)13-19-6-11(9)20-13/h1-4,9,11,13H,5-6H2/t9-,11+,13+/m0/s1InChIKey
DXCVJASYGNMBHY-UFGOTCBOSA-NSynonyms
(1S2S5R)2(5(4fluorophenyl)2sulfanylidene134oxadiazol3yl)68dioxabicyclo(321)octan4one
(1S2S5R)2(5(4fluorophenyl)2thioxo134oxadiazol3(2H)yl)68dioxabicyclo(321)octan4one(nonpreferredname)
C1C(C2COC(C1=O)O2)N3C(=S)OC(=N3)C4=CC=C(C=C4)F
InChI=1SC14H11FN2O4Sc158317(248)121617(14(22)2112)9510(18)1319611(9)2013h1491113H56H2t911+13+m0s1
MFCD13372213
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nc(oc1=S)c1ccc(cc1)F
ZINC000006667751
ZINC06667751
ZINC6667751
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