Vitas-M small molecule compound
2-[(4-chloro-2-fluorophenyl)amino]-2-oxoethyl 3,4,5-triethoxybenzoate
Catalog ID
STL013638
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)OCC(=O)Nc1ccc(cc1F)Cl
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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 C21H23ClFNO6 MW 439.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClFNO6/c1-4-27-17-9-13(10-18(28-5-2)20(17)29-6-3)21(26)30-12-19(25)24-16-8-7-14(22)11-15(16)23/h7-11H,4-6,12H2,1-3H3,(H,24,25)InChIKey
LTRAILYNFDHRCV-UHFFFAOYSA-NSynonyms
(2(4chloro2fluoroanilino)2oxoethyl)345triethoxybenzoate
2((4chloro2fluorophenyl)amino)2oxoethyl345triethoxybenzoate
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F
InChI=1SC21H23ClFNO6c142717913(1018(2852)20(17)2963)21(26)301219(25)24168714(22)1115(16)23h711H4612H213H3(H2425)
MFCD18186188
ZINC000010751234
ZINC10751234
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