Vitas-M small molecule compound
ethyl 3-(3-bromophenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL153679
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1cccc(c1)Br
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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)8-13(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
KTICPVFXXSYIKR-UHFFFAOYSA-NSynonyms
1324091-91-91324091919
CCOC(=O)CC(C1=CC(=CC=C1)Br)C2=C(C(=O)C=C(O2)CO)O
ethyl3(3bromophenyl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
ethyl3(3bromophenyl)3(3hydroxy6(hydroxymethyl)4oxopyran2yl)propanoate
InChI=1SC17H17BrO6c122315(21)813(1043511(18)610)1716(22)14(20)712(919)2417h37131922H289H21H3
MFCD19710111
ZINC000071283089
ZINC000071283090
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