Vitas-M small molecule compound
methyl 4-chloro-6,6-dimethyl-2-oxo-3-{1-[(trifluoroacetyl)oxy]butyl}cyclohex-3-ene-1-carboxylate
Catalog ID
STL570499
SMILES CCCC(C1=C(Cl)CC(C(C1=O)C(=O)OC)(C)C)OC(=O)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 C16H20ClF3O5 MW 384.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20ClF3O5/c1-5-6-9(25-14(23)16(18,19)20)10-8(17)7-15(2,3)11(12(10)21)13(22)24-4/h9,11H,5-7H2,1-4H3InChIKey
RARXKXYVAQWDPT-UHFFFAOYSA-NSynonyms
(6CHLORO3(METHOXYCARBONYL)44DIMETHYL2OXOCYCLOHEX1(6)ENYL)BUTYL222TRIFLUOROACETATE
3266441
InChI=1SC16H20ClF3O5c1569(2514(23)16(1819)20)108(17)715(23)11(12(10)21)13(22)244h911H57H214H3
methyl4chloro66dimethyl2oxo3(1((trifluoroacetyl)oxy)butyl)cyclohex3ene1carboxylate
methyl4chloro66dimethyl2oxo3(1(222trifluoroacetyl)oxybutyl)cyclohex3ene1carboxylate
MFCD00513114
ZINC000003071555
ZINC000003071558
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