Vitas-M small molecule compound
ethyl 3-{7-[(4-bromo-2-fluorobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate
Catalog ID
STL463292
SMILES CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2)OCc1ccc(cc1F)Br
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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 C22H20BrFO5 MW 463.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrFO5/c1-3-27-21(25)9-8-18-13(2)17-7-6-16(11-20(17)29-22(18)26)28-12-14-4-5-15(23)10-19(14)24/h4-7,10-11H,3,8-9,12H2,1-2H3InChIKey
CXRXQSQBALYFMZ-UHFFFAOYSA-NSynonyms
708220-21-7708220217
CCOC(=O)CCC1=C(C2=C(C=C(C=C2)OCC3=C(C=C(C=C3)Br)F)OC1=O)C
ethyl3(7((4bromo2fluorobenzyl)oxy)4methyl2oxo2Hchromen3yl)propanoate
ETHYL3(7((4BROMO2FLUOROPHENYL)METHOXY)4METHYL2OXOCHROMEN3YL)PROPANOATE
InChI=1SC22H20BrFO5c132721(25)981813(2)177616(1120(17)2922(18)26)2812144515(23)1019(14)24h471011H38912H212H3
MFCD03851314
ZINC000002148903
ZINC02148903
ZINC2148903
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