Vitas-M small molecule compound
(1S,2S,5R)-2-[4-methyl-3-(pyridin-3-yl)-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
STK768263
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)C)c1cccnc1
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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 C14H14N4O3S MW 318.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4O3S/c1-17-12(8-3-2-4-15-6-8)16-18(14(17)22)9-5-10(19)13-20-7-11(9)21-13/h2-4,6,9,11,13H,5,7H2,1H3/t9-,11+,13+/m0/s1InChIKey
ZDLZDVQVPSPYEQ-UFGOTCBOSA-NSynonyms
(1S2S5R)2(4methyl3(pyridin3yl)5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
(1S2S5R)2(4methyl3pyridin3yl5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4one
CN1C(=NN(C1=S)C2CC(=O)C3OCC2O3)C4=CN=CC=C4
InChI=1SC14H14N4O3Sc11712(83241568)1618(14(17)22)9510(19)1320711(9)2113h24691113H57H21H3t911+13+m0s1
MFCD13372140
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nc(n(c1=S)C)c1cccnc1
ZINC000000973884
ZINC00973884
ZINC973884
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