Vitas-M small molecule compound
(1S,2S,5R)-2-[3-(furan-2-yl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK758872
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)c1ccccc1)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 C18H15N3O4S MW 369.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O4S/c22-13-9-12(15-10-24-17(13)25-15)21-18(26)20(11-5-2-1-3-6-11)16(19-21)14-7-4-8-23-14/h1-8,12,15,17H,9-10H2/t12-,15+,17+/m0/s1InChIKey
PPJXKQDLWWWPCB-XGWLTEMNSA-NSynonyms
(1S2S5R)2(3(furan2yl)4phenyl5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4one
(1S2S5R)2(3(furan2yl)4phenyl5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
C1C(C2COC(C1=O)O2)N3C(=S)N(C(=N3)C4=CC=CO4)C5=CC=CC=C5
InChI=1SC18H15N3O4Sc2213912(15102417(13)2515)2118(26)20(115213611)16(1921)147482314h18121517H910H2t1215+17+m0s1
MFCD13372105
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nc(n(c1=S)c1ccccc1)c1ccco1
ZINC000006655068
ZINC06655068
ZINC6655068
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