Vitas-M small molecule compound
methyl 2-(4-{[({[(1E)-1-chloro-2-methylpropylidene]amino}oxy)carbonyl](methyl)amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Catalog ID
STL323161
SMILES COC(=O)C(C(F)(F)F)(c1ccc(cc1)N(C(=O)O/N=C(\C(C)C)/Cl)C)O
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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 C16H18ClF3N2O5 MW 410.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClF3N2O5/c1-9(2)12(17)21-27-14(24)22(3)11-7-5-10(6-8-11)15(25,13(23)26-4)16(18,19)20/h5-9,25H,1-4H3/b21-12+InChIKey
IXBAHNVSUHQTRB-CIAFOILYSA-NSynonyms
317840-16-7(E)methyl2(4(((((1chloro2methylpropylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)333trifluoro2hydroxypropanoate
317840167
CC(C)C(=NOC(=O)N(C)C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O)Cl
COC(=O)C(C(F)(F)F)(c1ccc(cc1)N(C(=O)ON=C(C(C)C)Cl)C)O
InChI=1SC16H18ClF3N2O5c19(2)12(17)212714(24)22(3)117510(6811)15(2513(23)264)16(1819)20h5925H14H3b2112+
methyl2(4((((((1E)1chloro2methylpropylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)333trifluoro2hydroxypropanoate
METHYL2(4(((E)(1CHLORO2METHYLPROPYLIDENE)AMINO)OXYCARBONYLMETHYLAMINO)PHENYL)333TRIFLUORO2HYDROXYPROPANOATE
MFCD01556155
ZINC000100274289
ZINC000100274294
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