Vitas-M small molecule compound
(1S,2S,5R)-2-[3-(3,4-dimethoxyphenyl)-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
STK761872
SMILES COc1cc(ccc1OC)c1nn(c(=S)n1C)[C@H]1CC(=O)[C@H]2O[C@@H]1CO2
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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 C17H19N3O5S MW 377.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O5S/c1-19-15(9-4-5-12(22-2)13(6-9)23-3)18-20(17(19)26)10-7-11(21)16-24-8-14(10)25-16/h4-6,10,14,16H,7-8H2,1-3H3/t10-,14+,16+/m0/s1InChIKey
OQDXKSZHLOFCJZ-DRZCJDIDSA-NSynonyms
(1S2S5R)2(3(34dimethoxyphenyl)4methyl5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4one
(1S2S5R)2(3(34dimethoxyphenyl)4methyl5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
CN1C(=NN(C1=S)C2CC(=O)C3OCC2O3)C4=CC(=C(C=C4)OC)OC
COc1cc(ccc1OC)c1nn(c(=S)n1C)(C@H)1CC(=O)(C@H)2O(C@@H)1CO2
InChI=1SC17H19N3O5Sc11915(94512(222)13(69)233)1820(17(19)26)10711(21)1624814(10)2516h46101416H78H213H3t1014+16+m0s1
MFCD13372118
ZINC000006670400
ZINC06670400
ZINC6670400
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