Vitas-M small molecule compound
methyl {4-methyl-7-[(4-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}acetate
Catalog ID
STL460500
SMILES COC(=O)Cc1c(=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/c1-13-4-6-15(7-5-13)12-25-16-8-9-17-14(2)18(11-20(22)24-3)21(23)26-19(17)10-16/h4-10H,11-12H2,1-3H3InChIKey
QLLZFDXHMLZVNG-UHFFFAOYSA-NSynonyms
670245-36-0670245360
CC1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=C(C(=O)O3)CC(=O)OC)C
InChI=1SC21H20O5c1134615(7513)122516891714(2)18(1120(22)243)21(23)2619(17)1016h410H1112H213H3
methyl(4methyl7((4methylbenzyl)oxy)2oxo2Hchromen3yl)acetate
methyl2(4methyl7((4methylbenzyl)oxy)2oxo2Hchromen3yl)acetate
METHYL2(4METHYL7((4METHYLPHENYL)METHOXY)2OXOCHROMEN3YL)ACETATE
MFCD03850090
ZINC000002146642
ZINC02146642
ZINC2146642
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