Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2-chloro-5-fluorobenzoate
Catalog ID
STL186803
SMILES O=C(NCc1ccc2c(c1)OCO2)COC(=O)c1cc(F)ccc1Cl
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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/c18-13-3-2-11(19)6-12(13)17(22)23-8-16(21)20-7-10-1-4-14-15(5-10)25-9-24-14/h1-6H,7-9H2,(H,20,21)InChIKey
MWSNDADTXIXLLQ-UHFFFAOYSA-NSynonyms
(2(13benzodioxol5ylmethylamino)2oxoethyl)2chloro5fluorobenzoate
2((13benzodioxol5ylmethyl)amino)2oxoethyl2chloro5fluorobenzoate
C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=C(C=CC(=C3)F)Cl
InChI=1SC17H13ClFNO5c18133211(19)612(13)17(22)23816(21)20710141415(510)2592414h16H79H2(H2021)
MFCD22387894
ZINC000072330154
ZINC72330154
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