Vitas-M small molecule compound
3-{4-methyl-2-oxo-7-[(pentamethylbenzyl)oxy]-2H-chromen-3-yl}propanoic acid
Catalog ID
STL511746
SMILES OC(=O)CCc1c(=O)oc2c(c1C)ccc(c2)OCc1c(C)c(C)c(c(c1C)C)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 C25H28O5 MW 408.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28O5/c1-13-14(2)16(4)22(17(5)15(13)3)12-29-19-7-8-20-18(6)21(9-10-24(26)27)25(28)30-23(20)11-19/h7-8,11H,9-10,12H2,1-6H3,(H,26,27)InChIKey
JFJPTKMCCOZELF-UHFFFAOYSA-NSynonyms
858750-69-33(4methyl2oxo7((23456pentamethylbenzyl)oxy)2Hchromen3yl)propanoicacid
3(4methyl2oxo7((23456pentamethylphenyl)methoxy)chromen3yl)propanoicacid
3(4methyl2oxo7((pentamethylbenzyl)oxy)2Hchromen3yl)propanoicacid
3340544
858750693
InChI=1SC25H28O5c11314(2)16(4)22(17(5)15(13)3)122919782018(6)21(91024(26)27)25(28)3023(20)1119h7811H91012H216H3(H2627)
MFCD03853570
ZINC000004046686
ZINC4046686
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