Vitas-M small molecule compound

4-methyl-2-oxa-3-thiatetracyclo[7.3.1.1~7,11~.0~1,5~]tetradecane 3,3-dioxide (non-preferred name)

Catalog ID
STK955613
SMILES CC1C2CC3CC4CC2(OS1(=O)=O)CC(C3)C4

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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 C13H20O3S MW 256.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20O3S/c1-8-12-5-9-2-10-4-11(3-9)7-13(12,6-10)16-17(8,14)15/h8-12H,2-7H2,1H3
InChIKey
XRDLIOJNINEUQK-UHFFFAOYSA-N
Synonyms
106087-94-9
(5r7R9S10ar)3methyloctahydro3H59710adimethanocyclonona(d)(12)oxathiole22dioxide
106087949
4methyl2oxa3thiatetracyclo(7311~711~0~15~)tetradecane33dioxide(nonpreferredname)
CC1C2CC3CC4CC(C3)CC2(C4)OS1(=O)=O
InChI=1SC13H20O3Sc181259210411(39)713(12610)1617(814)15h812H27H21H3
MFCD01245694
ZINC000002260634
ZINC000169669905

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.