Vitas-M small molecule compound

ethyl 3-{6-chloro-4-methyl-7-[(4-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoate

Catalog ID
STK716779
SMILES CCOC(=O)CCc1c(=O)oc2c(c1C)cc(c(c2)OCc1ccc(cc1)C)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 C23H23ClO5 MW 414.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClO5/c1-4-27-22(25)10-9-17-15(3)18-11-19(24)21(12-20(18)29-23(17)26)28-13-16-7-5-14(2)6-8-16/h5-8,11-12H,4,9-10,13H2,1-3H3
InChIKey
BMSKEBBGCHVJJV-UHFFFAOYSA-N
Synonyms
843625-00-3
843625003
CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=CC=C(C=C3)C)Cl)C
ethyl3(6chloro4methyl7((4methylbenzyl)oxy)2oxo2Hchromen3yl)propanoate
ETHYL3(6CHLORO4METHYL7((4METHYLPHENYL)METHOXY)2OXOCHROMEN3YL)PROPANOATE
InChI=1SC23H23ClO5c142722(25)1091715(3)181119(24)21(1220(18)2923(17)26)2813167514(2)6816h581112H491013H213H3
MFCD04015611
ZINC000002438399
ZINC02438399
ZINC2438399

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.