Vitas-M small molecule compound
4-({[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl]oxy}methyl)benzoic acid
Catalog ID
STL463277
SMILES OC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccc(cc1)C(=O)O
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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 C22H20O7 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20O7/c1-12-16-7-9-18(28-11-14-3-5-15(6-4-14)21(25)26)13(2)20(16)29-22(27)17(12)8-10-19(23)24/h3-7,9H,8,10-11H2,1-2H3,(H,23,24)(H,25,26)InChIKey
ZFAWDAKIKJZGIH-UHFFFAOYSA-NSynonyms
858747-76-94(((3(2carboxyethyl)48dimethyl2oxo2Hchromen7yl)oxy)methyl)benzoicacid
4((3(2CARBOXYETHYL)48DIMETHYL2OXOCHROMEN7YL)OXYMETHYL)BENZOICACID
858747769
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)C(=O)O)CCC(=O)O
InChI=1SC22H20O7c112167918(2811143515(6414)21(25)26)13(2)20(16)2922(27)17(12)81019(23)24h379H81011H212H3(H2324)(H2526)
MFCD03852542
ZINC000002093264
ZINC2093264
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