Vitas-M small molecule compound
3-{4-methyl-7-[(4-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid
Catalog ID
STL457530
SMILES OC(=O)CCc1c(=O)oc2c(c1C)ccc(c2)OCc1ccc(cc1)C
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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 C21H20O5 MW 352.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20O5/c1-13-3-5-15(6-4-13)12-25-16-7-8-17-14(2)18(9-10-20(22)23)21(24)26-19(17)11-16/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)InChIKey
QBOYKMRHZSIOIO-UHFFFAOYSA-NSynonyms
858757-02-53(4methyl7((4methylbenzyl)oxy)2oxo2Hchromen3yl)propanoicacid
3(4METHYL7((4METHYLPHENYL)METHOXY)2OXOCHROMEN3YL)PROPANOICACID
858757025
CC1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=C(C(=O)O3)CCC(=O)O)C
InChI=1SC21H20O5c1133515(6413)122516781714(2)18(91020(22)23)21(24)2619(17)1116h3811H91012H212H3(H2223)
MFCD03853229
ZINC000002094573
ZINC2094573
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