Vitas-M small molecule compound
(1S,2S,5R)-2-[3-(furan-2-yl)-4-methyl-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
STK768555
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)C)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 C13H13N3O4S MW 307.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O4S/c1-15-11(9-3-2-4-18-9)14-16(13(15)21)7-5-8(17)12-19-6-10(7)20-12/h2-4,7,10,12H,5-6H2,1H3/t7-,10+,12+/m0/s1InChIKey
JFYUOYIRFCTBPK-HNBZJPLGSA-NSynonyms
(1S2S5R)2(3(furan2yl)4methyl5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4one
(1S2S5R)2(3(furan2yl)4methyl5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
(4S5S1R)4(3(2FURYL)4METHYL5THIOXO(124TRIAZOLINYL))78DIOXABICYCLO(321)OCTAN2ONE
CN1C(=NN(C1=S)C2CC(=O)C3OCC2O3)C4=CC=CO4
InChI=1SC13H13N3O4Sc11511(9324189)1416(13(15)21)758(17)1219610(7)2012h2471012H56H21H3t710+12+m0s1
MFCD13372146
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nc(n(c1=S)C)c1ccco1
ZINC000006659530
ZINC06659530
ZINC6659530
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