Vitas-M small molecule compound
tert-butyl [(2-oxo-1,3-benzoxathiol-5-yl)oxy]acetate
Catalog ID
STK755880
SMILES O=C(OC(C)(C)C)COc1ccc2c(c1)sc(=O)o2
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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 C13H14O5S MW 282.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14O5S/c1-13(2,3)18-11(14)7-16-8-4-5-9-10(6-8)19-12(15)17-9/h4-6H,7H2,1-3H3InChIKey
NTTOIFVDDWFCAI-UHFFFAOYSA-NSynonyms
(2OXOBENZO(13)OXATHIOL5YLOXY)ACETICACIDTERTBUTYLESTER
CC(C)(C)OC(=O)COC1=CC2=C(C=C1)OC(=O)S2
InChI=1SC13H14O5Sc113(23)1811(14)716845910(68)1912(15)179h46H7H213H3
MFCD01058454
tertbutyl((2oxo13benzoxathiol5yl)oxy)acetate
TERTBUTYL2((2OXO13BENZOXATHIOL5YL)OXY)ACETATE
TERTBUTYL2(2OXOBENZO(34D)13OXATHIOLAN5YLOXY)ACETATE
ZINC000000049161
ZINC00049161
ZINC49161
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