Vitas-M small molecule compound
(1R,2R,5R)-2-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK754294
SMILES O=C1C[C@@H](Sc2ccccc2)[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 C12H12O3S MW 236.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12O3S/c13-9-6-11(10-7-14-12(9)15-10)16-8-4-2-1-3-5-8/h1-5,10-12H,6-7H2/t10-,11-,12-/m1/s1InChIKey
DHCDASQHIRYVRW-IJLUTSLNSA-NSynonyms
(1R2R5R)2(phenylsulfanyl)68dioxabicyclo(321)octan4one(nonpreferredname)
(1R2R5R)2PHENYLSULFANYL68DIOXABICYCLO(321)OCTAN4ONE
C1C(C2COC(C1=O)O2)SC3=CC=CC=C3
InChI=1SC12H12O3Sc139611(1071412(9)1510)168421358h151012H67H2t101112m1s1
MFCD13372067
O=C1C(C@@H)(Sc2ccccc2)(C@@H)2O(C@H)1OC2
ZINC000001056720
ZINC01056720
ZINC1056720
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