Vitas-M small molecule compound

2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl 2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxylate

Catalog ID
STK265453
SMILES O=C(Nc1cc(ccc1Cl)C(F)(F)F)COC(=O)C1C2CC3C(C1C(=O)O3)C2

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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 C18H15ClF3NO5 MW 417.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClF3NO5/c19-10-2-1-8(18(20,21)22)5-11(10)23-13(24)6-27-16(25)14-7-3-9-12(4-7)28-17(26)15(9)14/h1-2,5,7,9,12,14-15H,3-4,6H2,(H,23,24)
InChIKey
YISJDWXIOAZCNV-UHFFFAOYSA-N
Synonyms

2((2chloro5(trifluoromethyl)phenyl)amino)2oxoethyl2oxohexahydro2H35methanocyclopenta(b)furan7carboxylate
C1C2CC3C1C(C2C(=O)OCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)C(=O)O3
InChI=1SC18H15ClF3NO5c1910218(18(2021)22)511(10)2313(24)62716(25)1473912(47)2817(26)15(9)14h12579121415H346H2(H2324)
MFCD07188989
ZINC000009525747
ZINC000239433711

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Available files

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