Vitas-M small molecule compound
(1S,2S,5R)-2-(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
STK769208
SMILES Cn1cnn(c1=S)[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 C9H11N3O3S MW 241.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H11N3O3S/c1-11-4-10-12(9(11)16)5-2-6(13)8-14-3-7(5)15-8/h4-5,7-8H,2-3H2,1H3/t5-,7+,8+/m0/s1InChIKey
IANCHNVTGAKADM-UIISKDMLSA-NSynonyms
(1R2S5S)2(4METHYL5SULFANYLIDENE124TRIAZOL1YL)68DIOXABICYCLO(321)OCTAN4ONE
(1S2S5R)2(4methyl5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4one
(1S2S5R)2(4methyl5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
CN1C=NN(C1=S)C2CC(=O)C3OCC2O3
Cn1cnn(c1=S)(C@H)1CC(=O)(C@H)2O(C@@H)1CO2
InChI=1SC9H11N3O3Sc11141012(9(11)16)526(13)81437(5)158h4578H23H21H3t57+8+m0s1
MFCD13372150
ZINC000006659543
ZINC06659543
ZINC6659543
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