Vitas-M small molecule compound
ethyl 3,3,3-trifluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(propanoylamino)alaninate
Catalog ID
STK690862
SMILES CCOC(=O)C(C(F)(F)F)(Nc1cc(ccc1OC)C(F)(F)F)NC(=O)CC
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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 C16H18F6N2O4 MW 416.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18F6N2O4/c1-4-12(25)24-14(16(20,21)22,13(26)28-5-2)23-10-8-9(15(17,18)19)6-7-11(10)27-3/h6-8,23H,4-5H2,1-3H3,(H,24,25)InChIKey
YAMBZRYJSFHIAQ-UHFFFAOYSA-NSynonyms
CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=C(C=CC(=C1)C(F)(F)F)OC
ethyl333trifluoro2(2methoxy5(trifluoromethyl)anilino)2(propanoylamino)propanoate
ethyl333trifluoroN(2methoxy5(trifluoromethyl)phenyl)2(propanoylamino)alaninate
InChI=1SC16H18F6N2O4c1412(25)2414(16(2021)2213(26)2852)231089(15(1718)19)6711(10)273h6823H45H213H3(H2425)
MFCD00357270
ZINC000012418325
ZINC000012418328
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