Vitas-M small molecule compound
3-{7-[(4-chlorobenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoic acid
Catalog ID
STL463398
SMILES OC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccc(cc1)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 C21H19ClO5 MW 386.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClO5/c1-12-16-7-9-18(26-11-14-3-5-15(22)6-4-14)13(2)20(16)27-21(25)17(12)8-10-19(23)24/h3-7,9H,8,10-11H2,1-2H3,(H,23,24)InChIKey
BWHVIQLWQCRKEC-UHFFFAOYSA-NSynonyms
858758-27-73(7((4chlorobenzyl)oxy)48dimethyl2oxo2Hchromen3yl)propanoicacid
3(7((4CHLOROPHENYL)METHOXY)48DIMETHYL2OXOCHROMEN3YL)PROPANOICACID
858758277
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)Cl)CCC(=O)O
InChI=1SC21H19ClO5c112167918(2611143515(22)6414)13(2)20(16)2721(25)17(12)81019(23)24h379H81011H212H3(H2324)
MFCD03854141
ZINC000002096233
ZINC2096233
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