Vitas-M small molecule compound
2-[(2-fluorophenyl)amino]-2-oxoethyl 1,3-benzodioxole-5-carboxylate
Catalog ID
STL061780
SMILES O=C(Nc1ccccc1F)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 C16H12FNO5 MW 317.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12FNO5/c17-11-3-1-2-4-12(11)18-15(19)8-21-16(20)10-5-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H,18,19)InChIKey
RLQKIVYZMINXFQ-UHFFFAOYSA-NSynonyms
(2(2FLUOROANILINO)2OXOETHYL)13BENZODIOXOLE5CARBOXYLATE
2((2fluorophenyl)amino)2oxoethyl13benzodioxole5carboxylate
C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3F
InChI=1SC16H12FNO5c1711312412(11)1815(19)82116(20)10561314(710)2392213h17H89H2(H1819)
MFCD05281676
ZINC000003437149
ZINC03437149
ZINC3437149
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