Vitas-M small molecule compound
ethyl 3-{7-[(2-chloro-6-fluorobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate
Catalog ID
STL463207
SMILES CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2)OCc1c(F)cccc1Cl
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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 C22H20ClFO5 MW 418.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClFO5/c1-3-27-21(25)10-9-16-13(2)15-8-7-14(11-20(15)29-22(16)26)28-12-17-18(23)5-4-6-19(17)24/h4-8,11H,3,9-10,12H2,1-2H3InChIKey
XOHNUBRHJOIBPH-UHFFFAOYSA-NSynonyms
858758-95-9858758959
CCOC(=O)CCC1=C(C2=C(C=C(C=C2)OCC3=C(C=CC=C3Cl)F)OC1=O)C
ethyl3(7((2chloro6fluorobenzyl)oxy)4methyl2oxo2Hchromen3yl)propanoate
ETHYL3(7((2CHLORO6FLUOROPHENYL)METHOXY)4METHYL2OXOCHROMEN3YL)PROPANOATE
InChI=1SC22H20ClFO5c132721(25)1091613(2)158714(1120(15)2922(16)26)28121718(23)54619(17)24h4811H391012H212H3
MFCD03854206
ZINC000002096344
ZINC02096344
ZINC2096344
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