Vitas-M small molecule compound
ethyl 3-{7-[(4-bromobenzyl)oxy]-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl}propanoate
Catalog ID
STL226386
SMILES CCOC(=O)CCc1c(=O)oc2c(c1C)cc(c(c2)OCc1ccc(cc1)Br)Cl
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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 C22H20BrClO5 MW 479.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrClO5/c1-3-27-21(25)9-8-16-13(2)17-10-18(24)20(11-19(17)29-22(16)26)28-12-14-4-6-15(23)7-5-14/h4-7,10-11H,3,8-9,12H2,1-2H3InChIKey
MLPHWGSYZUIEPH-UHFFFAOYSA-NSynonyms
578747-04-3578747043
CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=CC=C(C=C3)Br)Cl)C
ethyl3(7((4bromobenzyl)oxy)6chloro4methyl2oxo2Hchromen3yl)propanoate
ETHYL3(7((4BROMOPHENYL)METHOXY)6CHLORO4METHYL2OXOCHROMEN3YL)PROPANOATE
InChI=1SC22H20BrClO5c132721(25)981613(2)171018(24)20(1119(17)2922(16)26)2812144615(23)7514h471011H38912H212H3
MFCD04024561
ZINC000002859019
ZINC02859019
ZINC2859019
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