Vitas-M small molecule compound
ethyl 3-(2-bromophenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL152227
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1ccccc1Br
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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 C17H17BrO6 MW 397.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17BrO6/c1-2-23-15(21)8-12(11-5-3-4-6-13(11)18)17-16(22)14(20)7-10(9-19)24-17/h3-7,12,19,22H,2,8-9H2,1H3InChIKey
WKYDIDZNUTWPNB-UHFFFAOYSA-NSynonyms
1324082-49-61324082496
CCOC(=O)CC(C1=CC=CC=C1Br)C2=C(C(=O)C=C(O2)CO)O
ethyl3(2bromophenyl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
ethyl3(2bromophenyl)3(3hydroxy6(hydroxymethyl)4oxopyran2yl)propanoate
InChI=1SC17H17BrO6c122315(21)812(11534613(11)18)1716(22)14(20)710(919)2417h37121922H289H21H3
MFCD19708327
ZINC000071279530
ZINC000071279531
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