Vitas-M small molecule compound
ethyl 3-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL244664
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1cc(Cl)cc2c1OCOC2
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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 C19H19ClO8 MW 410.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClO8/c1-2-26-16(23)6-14(19-17(24)15(22)5-12(7-21)28-19)13-4-11(20)3-10-8-25-9-27-18(10)13/h3-5,14,21,24H,2,6-9H2,1H3InChIKey
XCELMVKDEZIOHE-UHFFFAOYSA-NSynonyms
1324079-40-41324079404
CCOC(=O)CC(C1=C2C(=CC(=C1)Cl)COCO2)C3=C(C(=O)C=C(O3)CO)O
ethyl3(6chloro4H13benzodioxin8yl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
ethyl3(6chloro4H13benzodioxin8yl)3(3hydroxy6(hydroxymethyl)4oxopyran2yl)propanoate
ethyl3(6chloro4Hbenzo(d)(13)dioxin8yl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
InChI=1SC19H19ClO8c122616(23)614(1917(24)15(22)512(721)2819)13411(20)31082592718(10)13h35142124H269H21H3
MFCD19713374
ZINC000071289152
ZINC000071289154
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