Vitas-M small molecule compound

methyl 3-(7-chloro-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate

Catalog ID
STL544911
SMILES COC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1cc(Cl)c2c(c1)OCO2

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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 C20H15ClO7 MW 402.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClO7/c1-25-16(22)8-12(10-6-13(21)19-15(7-10)26-9-27-19)17-18(23)11-4-2-3-5-14(11)28-20(17)24/h2-7,12,23H,8-9H2,1H3
InChIKey
RGTOSLBSCPJQAN-UHFFFAOYSA-N
Synonyms
1630831-96-7
1630831967
91637981
InChI=1SC20H15ClO7c12516(22)812(10613(21)1915(710)2692719)1718(23)11423514(11)2820(17)24h271223H89H21H3
methyl3(7chloro13benzodioxol5yl)3(4hydroxy2oxo2Hchromen3yl)propanoate
methyl3(7chloro13benzodioxol5yl)3(4hydroxy2oxochromen3yl)propanoate
METHYL3(7CHLOROBENZO(D)(13)DIOXOL5YL)3(4HYDROXY2OXO2HCHROMEN3YL)PROPANOATE
MFCD28349719
ZINC000217829411
ZINC000217829492

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Available files

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