Vitas-M small molecule compound

(1R,2S,5R)-2-(1,3-benzothiazol-2-ylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)

Catalog ID
STK775128
SMILES O=C1C[C@H](Sc2nc3c(s2)cccc3)[C@@H]2O[C@H]1OC2

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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 C13H11NO3S2 MW 293.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11NO3S2/c15-8-5-11(9-6-16-12(8)17-9)19-13-14-7-3-1-2-4-10(7)18-13/h1-4,9,11-12H,5-6H2/t9-,11+,12-/m1/s1
InChIKey
QJVOXAUMHMMBBL-ADEWGFFLSA-N
Synonyms

(1R2S5R)2(13benzothiazol2ylsulfanyl)68dioxabicyclo(321)octan4one
(1R2S5R)2(13benzothiazol2ylsulfanyl)68dioxabicyclo(321)octan4one(nonpreferredname)
(4S1R5R)4BENZOTHIAZOL2YLTHIO78DIOXABICYCLO(321)OCTAN2ONE
C1C(C2COC(C1=O)O2)SC3=NC4=CC=CC=C4S3
InChI=1SC13H11NO3S2c158511(961612(8)179)1913147312410(7)1813h1491112H56H2t911+12m1s1
MFCD13372198
O=C1C(C@H)(Sc2nc3c(s2)cccc3)(C@@H)2O(C@H)1OC2
ZINC000006667741
ZINC06667741
ZINC6667741

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Available files

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