Vitas-M small molecule compound
2-[(2-fluoro-4-methylphenyl)amino]-2-oxoethyl 1,3-benzodioxole-5-carboxylate
Catalog ID
STL059640
SMILES O=C(Nc1ccc(cc1F)C)COC(=O)c1ccc2c(c1)OCO2
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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 C17H14FNO5 MW 331.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14FNO5/c1-10-2-4-13(12(18)6-10)19-16(20)8-22-17(21)11-3-5-14-15(7-11)24-9-23-14/h2-7H,8-9H2,1H3,(H,19,20)InChIKey
AJBFWMKXVNRMOW-UHFFFAOYSA-NSynonyms
(2(2FLUORO4METHYLANILINO)2OXOETHYL)13BENZODIOXOLE5CARBOXYLATE
2((2fluoro4methylphenyl)amino)2oxoethyl13benzodioxole5carboxylate
CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)F
InChI=1SC17H14FNO5c1102413(12(18)610)1916(20)82217(21)11351415(711)2492314h27H89H21H3(H1920)
MFCD07662801
ZINC000006609208
ZINC06609208
ZINC6609208
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