Vitas-M small molecule compound
(1S,2S,5R,1'S,2'S,5'R)-2,2'-(2-thioxo-1H-benzimidazole-1,3(2H)-diyl)bis(6,8-dioxabicyclo[3.2.1]octan-4-one) (non-preferred name)
Catalog ID
STK668260
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1c2ccccc2n(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 C19H18N2O6S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O6S/c22-13-5-11(15-7-24-17(13)26-15)20-9-3-1-2-4-10(9)21(19(20)28)12-6-14(23)18-25-8-16(12)27-18/h1-4,11-12,15-18H,5-8H2/t11-,12-,15+,16+,17+,18+/m0/s1InChIKey
RQGIDQQMSDJKIJ-GDECYZTHSA-NSynonyms
(1S2S5R)2(3((1S2S5R)4oxo68dioxabicyclo(321)octan2yl)2sulfanylidenebenzimidazol1yl)68dioxabicyclo(321)octan4one
(1S2S5R1S2S5R)22(2thioxo1Hbenzimidazole13(2H)diyl)bis(68dioxabicyclo(321)octan4one)(nonpreferredname)
C1C(C2COC(C1=O)O2)N3C4=CC=CC=C4N(C3=S)C5CC(=O)C6OCC5O6
InChI=1SC19H18N2O6Sc2213511(1572417(13)2615)209312410(9)21(19(20)28)12614(23)1825816(12)2718h1411121518H58H2t111215+16+17+18+m0s1
MFCD18246827
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1c2ccccc2n(c1=S)(C@H)1CC(=O)(C@H)2O(C@@H)1CO2
ZINC000006645899
ZINC06645899
ZINC6645899
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