Vitas-M small molecule compound
ethyl 3-(3-chlorophenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL163213
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1cccc(c1)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 C17H17ClO6 MW 352.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClO6/c1-2-23-15(21)8-13(10-4-3-5-11(18)6-10)17-16(22)14(20)7-12(9-19)24-17/h3-7,13,19,22H,2,8-9H2,1H3InChIKey
RDDKXZGFZUAQNZ-UHFFFAOYSA-NSynonyms
1324082-74-71324082747
CCOC(=O)CC(C1=CC(=CC=C1)Cl)C2=C(C(=O)C=C(O2)CO)O
ethyl3(3chlorophenyl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
ethyl3(3chlorophenyl)3(3hydroxy6(hydroxymethyl)4oxopyran2yl)propanoate
InChI=1SC17H17ClO6c122315(21)813(1043511(18)610)1716(22)14(20)712(919)2417h37131922H289H21H3
MFCD19708621
ZINC000071279943
ZINC000071279944
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