Vitas-M small molecule compound
(1S,2S,5R)-2-[5-(furan-2-yl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK775875
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(oc1=S)c1ccco1
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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 C12H10N2O5S MW 294.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10N2O5S/c15-7-4-6(9-5-17-11(7)18-9)14-12(20)19-10(13-14)8-2-1-3-16-8/h1-3,6,9,11H,4-5H2/t6-,9+,11+/m0/s1InChIKey
BOGUVYJQFALYGX-PTHKFVFGSA-NSynonyms
(1R2S5S)2(5(FURAN2YL)2SULFANYLIDENE134OXADIAZOL3YL)68DIOXABICYCLO(321)OCTAN4ONE
(1S2S5R)2(5(furan2yl)2sulfanylidene134oxadiazol3yl)68dioxabicyclo(321)octan4one
(1S2S5R)2(5(furan2yl)2thioxo134oxadiazol3(2H)yl)68dioxabicyclo(321)octan4one(nonpreferredname)
C1C(C2COC(C1=O)O2)N3C(=S)OC(=N3)C4=CC=CO4
InChI=1SC12H10N2O5Sc15746(951711(7)189)1412(20)1910(1314)8213168h136911H45H2t69+11+m0s1
MFCD13372206
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nc(oc1=S)c1ccco1
ZINC000006667747
ZINC06667747
ZINC6667747
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