Vitas-M small molecule compound
2-[(3-chloro-4-fluorobenzyl)amino]-2-oxoethyl 1,3-benzodioxole-5-carboxylate
Catalog ID
STL059660
SMILES O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccc(c(c1)Cl)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 C17H13ClFNO5 MW 365.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClFNO5/c18-12-5-10(1-3-13(12)19)7-20-16(21)8-23-17(22)11-2-4-14-15(6-11)25-9-24-14/h1-6H,7-9H2,(H,20,21)InChIKey
HFMMZGJBONKIAC-UHFFFAOYSA-NSynonyms
(2((3chloro4fluorophenyl)methylamino)2oxoethyl)13benzodioxole5carboxylate
2((3chloro4fluorobenzyl)amino)2oxoethyl13benzodioxole5carboxylate
C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NCC3=CC(=C(C=C3)F)Cl
InChI=1SC17H13ClFNO5c1812510(1313(12)19)72016(21)82317(22)11241415(611)2592414h16H79H2(H2021)
MFCD18193180
ZINC000057471846
ZINC57471846
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