Vitas-M small molecule compound

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

Catalog ID
STK537306
SMILES CCOC(=O)C(C(F)(F)F)(Nc1cc(ccc1OC)C(C(F)(F)F)(C(=O)OCC)O)NC(=O)CCC

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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 C21H26F6N2O7 MW 532.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26F6N2O7/c1-5-8-15(30)29-19(21(25,26)27,17(32)36-7-3)28-13-11-12(9-10-14(13)34-4)18(33,20(22,23)24)16(31)35-6-2/h9-11,28,33H,5-8H2,1-4H3,(H,29,30)
InChIKey
UQODUVOHESJSJX-UHFFFAOYSA-N
Synonyms

305870182
CCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=C(C=CC(=C1)C(C(=O)OCC)(C(F)(F)F)O)OC
ETHYL2(3((2(BUTANOYLAMINO)3ETHOXY111TRIFLUORO3OXOPROPAN2YL)AMINO)4METHOXYPHENYL)333TRIFLUORO2HYDROXYPROPANOATE
ethyl2(butanoylamino)N(5(3ethoxy111trifluoro2hydroxy3oxopropan2yl)2methoxyphenyl)333trifluoroalaninate
ethyl2butyramido2((5(3ethoxy111trifluoro2hydroxy3oxopropan2yl)2methoxyphenyl)amino)333trifluoropropanoate
InChI=1SC21H26F6N2O7c15815(30)2919(21(2526)2717(32)3673)28131112(91014(13)344)18(3320(2223)24)16(31)3562h9112833H58H214H3(H2930)
MFCD01554088
ZINC000097949484
ZINC000097949487

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Available files

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