Vitas-M small molecule compound
ethyl 3-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL157522
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1ccc(o1)c1cc(Cl)ccc1Cl
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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 C21H18Cl2O7 MW 453.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2O7/c1-2-28-19(26)9-14(21-20(27)16(25)8-12(10-24)29-21)18-6-5-17(30-18)13-7-11(22)3-4-15(13)23/h3-8,14,24,27H,2,9-10H2,1H3InChIKey
GGHWFYCEFRPNKV-UHFFFAOYSA-NSynonyms
1324072-34-51324072345
CCOC(=O)CC(C1=CC=C(O1)C2=C(C=CC(=C2)Cl)Cl)C3=C(C(=O)C=C(O3)CO)O
ethyl3(5(25dichlorophenyl)furan2yl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
ethyl3(5(25dichlorophenyl)furan2yl)3(3hydroxy6(hydroxymethyl)4oxopyran2yl)propanoate
InChI=1SC21H18Cl2O7c122819(26)914(2120(27)16(25)812(1024)2921)186517(3018)13711(22)3415(13)23h38142427H2910H21H3
MFCD19708225
ZINC000071279375
ZINC000071279376
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