Vitas-M small molecule compound
ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate
Catalog ID
STL298522
SMILES CCOC(=O)C1SC2(CC1(O)C(C)(C)CO2)C(F)(F)F
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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 C12H17F3O4S MW 314.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17F3O4S/c1-4-18-8(16)7-10(17)5-11(20-7,12(13,14)15)19-6-9(10,2)3/h7,17H,4-6H2,1-3H3InChIKey
GPTVOGPGALFQQS-UHFFFAOYSA-NSynonyms
1190848-27-11190848271
CCOC(=O)C1C2(CC(S1)(OCC2(C)C)C(F)(F)F)O
ETHYL1HYDROXY22DIMETHYL5(TRIFLUOROMETHYL)4OXA6THIABICYCLO(321)OCTANE7CARBOXYLATE
ETHYL5HYDROXY44DIMETHYL1(TRIFLUOROMETHYL)2OXA7THIABICYCLO(321)OCTANE6CARBOXYLATE
InChI=1SC12H17F3O4Sc14188(16)710(17)511(20712(1314)15)1969(102)3h717H46H213H3
MFCD00841730
ZINC000102697435
ZINC000102697437
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