Vitas-M small molecule compound
(1S,2S,5R)-2-[4-(2-fluorophenyl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK769878
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nnn(c1=S)c1ccccc1F
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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 C13H11FN4O3S MW 322.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11FN4O3S/c14-7-3-1-2-4-8(7)17-13(22)18(16-15-17)9-5-10(19)12-20-6-11(9)21-12/h1-4,9,11-12H,5-6H2/t9-,11+,12+/m0/s1InChIKey
JVUWSQQOVASZDK-MVWJERBFSA-NSynonyms
(1S2S5R)2(4(2fluorophenyl)5sulfanylidenetetrazol1yl)68dioxabicyclo(321)octan4one
(1S2S5R)2(4(2fluorophenyl)5thioxo45dihydro1Htetrazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
C1C(C2COC(C1=O)O2)N3C(=S)N(N=N3)C4=CC=CC=C4F
InChI=1SC13H11FN4O3Sc14731248(7)1713(22)18(161517)9510(19)1220611(9)2112h1491112H56H2t911+12+m0s1
MFCD13372160
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nnn(c1=S)c1ccccc1F
ZINC000006659561
ZINC06659561
ZINC6659561
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