Vitas-M small molecule compound

diethyl ({[4-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]amino}methylidene)propanedioate

Catalog ID
STK377910
SMILES CCOC(=O)C(=CNc1ccc(cc1C)C(C(F)(F)F)(C(=O)OCC)O)C(=O)OCC

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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 C20H24F3NO7 MW 447.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24F3NO7/c1-5-29-16(25)14(17(26)30-6-2)11-24-15-9-8-13(10-12(15)4)19(28,20(21,22)23)18(27)31-7-3/h8-11,24,28H,5-7H2,1-4H3
InChIKey
IQLYUQNVUYSHJC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C(=CNC1=C(C=C(C=C1)C(C(=O)OCC)(C(F)(F)F)O)C)C(=O)OCC
DIETHYL(((4(1(ETHOXYCARBONYL)222TRIFLUORO1HYDROXYETHYL)2METHYLPHENYL)AMINO)METHYLIDENE)PROPANEDIOATE
diethyl(((4(3ethoxy111trifluoro2hydroxy3oxopropan2yl)2methylphenyl)amino)methylidene)propanedioate
DIETHYL2(((4(1(ETHOXYCARBONYL)222TRIFLUORO1HYDROXYETHYL)2METHYLPHENYL)AMINO)METHYLENE)PROPANE13DIOATE
DIETHYL2((4(1(ETHOXYCARBONYL)222TRIFLUORO1HYDROXYETHYL)2METHYLANILINO)METHYLENE)MALONATE
DIETHYL2((4(3ETHOXY111TRIFLUORO2HYDROXY3OXOPROPAN2YL)2METHYLANILINO)METHYLIDENE)PROPANEDIOATE
InChI=1SC20H24F3NO7c152916(25)14(17(26)3062)1124159813(1012(15)4)19(2820(2122)23)18(27)3173h8112428H57H214H3
MFCD00788911
ZINC000102069340
ZINC000102069344

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Available files

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