Vitas-M small molecule compound
2-oxo-2-{[4-(trifluoromethyl)phenyl]amino}ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Catalog ID
STL187803
SMILES O=C(Nc1ccc(cc1)C(F)(F)F)COC(=O)C1COc2c(O1)cccc2
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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 C18H14F3NO5 MW 381.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14F3NO5/c19-18(20,21)11-5-7-12(8-6-11)22-16(23)10-26-17(24)15-9-25-13-3-1-2-4-14(13)27-15/h1-8,15H,9-10H2,(H,22,23)InChIKey
QPPKRUXLUWBNAN-UHFFFAOYSA-NSynonyms
(2oxo2(4(trifluoromethyl)anilino)ethyl)23dihydro14benzodioxine3carboxylate
2oxo2((4(trifluoromethyl)phenyl)amino)ethyl23dihydro14benzodioxine2carboxylate
C1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=CC=C(C=C3)C(F)(F)F
InChI=1SC18H14F3NO5c1918(2021)115712(8611)2216(23)102617(24)1592513312414(13)2715h1815H910H2(H2223)
MFCD04654685
ZINC000006055887
ZINC000006055891
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