Vitas-M small molecule compound
2-oxo-2-{[4-(trifluoromethyl)benzyl]amino}ethyl 4-butoxybenzoate
Catalog ID
STL099779
SMILES CCCCOc1ccc(cc1)C(=O)OCC(=O)NCc1ccc(cc1)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 C21H22F3NO4 MW 409.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3NO4/c1-2-3-12-28-18-10-6-16(7-11-18)20(27)29-14-19(26)25-13-15-4-8-17(9-5-15)21(22,23)24/h4-11H,2-3,12-14H2,1H3,(H,25,26)InChIKey
OCFJMXHSKQIEGG-UHFFFAOYSA-NSynonyms
(2oxo2((4(trifluoromethyl)phenyl)methylamino)ethyl)4butoxybenzoate
2oxo2((4(trifluoromethyl)benzyl)amino)ethyl4butoxybenzoate
CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)C(F)(F)F
InChI=1SC21H22F3NO4c12312281810616(71118)20(27)291419(26)2513154817(9515)21(2223)24h411H231214H21H3(H2526)
MFCD18790413
ZINC000067197690
ZINC67197690
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