Vitas-M small molecule compound

ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate

Catalog ID
STK535536
SMILES CCOC(=O)C(C(F)(F)F)(Nc1cc(ccc1OC)C(C(F)(F)F)(C(=O)OCC)O)NC(=O)C

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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 C19H22F6N2O7 MW 504.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22F6N2O7/c1-5-33-14(29)16(31,18(20,21)22)11-7-8-13(32-4)12(9-11)27-17(19(23,24)25,26-10(3)28)15(30)34-6-2/h7-9,27,31H,5-6H2,1-4H3,(H,26,28)
InChIKey
HIEPFWWYBZYXTM-UHFFFAOYSA-N
Synonyms
327101-31-5
327101315
CCOC(=O)C(C1=CC(=C(C=C1)OC)NC(C(=O)OCC)(C(F)(F)F)NC(=O)C)(C(F)(F)F)O
ETHYL2(3((2ACETAMIDO3ETHOXY111TRIFLUORO3OXOPROPAN2YL)AMINO)4METHOXYPHENYL)333TRIFLUORO2HYDROXYPROPANOATE
ETHYL2(ACETYLAMINO)N(5(1(ETHOXYCARBONYL)222TRIFLUORO1HYDROXYETHYL)2METHOXYPHENYL)333TRIFLUOROALANINATE
ethyl2(acetylamino)N(5(3ethoxy111trifluoro2hydroxy3oxopropan2yl)2methoxyphenyl)333trifluoroalaninate
ethyl2acetamido2((5(3ethoxy111trifluoro2hydroxy3oxopropan2yl)2methoxyphenyl)amino)333trifluoropropanoate
InChI=1SC19H22F6N2O7c153314(29)16(3118(2021)22)117813(324)12(911)2717(19(2324)252610(3)28)15(30)3462h792731H56H214H3(H2628)
MFCD01554873
ZINC000008926471
ZINC000008926474

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.