Vitas-M small molecule compound

methyl 3,3,3-trifluoro-2-phenoxy-N-{[3-(trifluoromethyl)phenyl]carbamoyl}alaninate

Catalog ID
STK792160
SMILES COC(=O)C(C(F)(F)F)(Oc1ccccc1)NC(=O)Nc1cccc(c1)C(F)(F)F

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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 C18H14F6N2O4 MW 436.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14F6N2O4/c1-29-14(27)16(18(22,23)24,30-13-8-3-2-4-9-13)26-15(28)25-12-7-5-6-11(10-12)17(19,20)21/h2-10H,1H3,(H2,25,26,28)
InChIKey
TYXICAJXIBJQBV-UHFFFAOYSA-N
Synonyms

COC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=CC(=C1)C(F)(F)F)OC2=CC=CC=C2
InChI=1SC18H14F6N2O4c12914(27)16(18(2223)2430138324913)2615(28)251275611(1012)17(1920)21h210H1H3(H2252628)
METHYL333TRIFLUORO2PHENOXY2((3(TRIFLUOROMETHYL)PHENYL)CARBAMOYLAMINO)PROPANOATE
methyl333trifluoro2phenoxyN((3(trifluoromethyl)phenyl)carbamoyl)alaninate
MFCD05257469
ZINC000012417283
ZINC000012417285

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Available files

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