Vitas-M small molecule compound
methyl (2E)-2-(5-tert-butyl-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate
Catalog ID
STK767348
SMILES COC(=O)/C(=C\1/Oc2c(S1)cc(cc2)C(C)(C)C)/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 C15H15F3O3S MW 332.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15F3O3S/c1-14(2,3)8-5-6-9-10(7-8)22-13(21-9)11(12(19)20-4)15(16,17)18/h5-7H,1-4H3/b13-11+InChIKey
LZCMVWMVDAPPAT-ACCUITESSA-NSynonyms
(Z)methyl2(5(tertbutyl)benzo(d)(13)oxathiol2ylidene)333trifluoropropanoate
2(5TERTBUTYLBENZO(13)OXATHIOL2YLIDENE)333TRIFLUOROPROPIONICACIDMETHYLESTER
CC(C)(C)C1=CC2=C(C=C1)OC(=C(C(=O)OC)C(F)(F)F)S2
COC(=O)C(=C1Oc2c(S1)cc(cc2)C(C)(C)C)C(F)(F)F
InChI=1SC15H15F3O3Sc114(23)856910(78)2213(219)11(12(19)204)15(1617)18h57H14H3b1311+
methyl(2E)2(5tertbutyl13benzoxathiol2ylidene)333trifluoropropanoate
MFCD02167851
ZINC000002372846
ZINC02372846
ZINC2372846
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