Vitas-M small molecule compound
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-[4-methoxy-3-(prop-2-yn-1-yloxy)phenyl]propanoate
Catalog ID
STL160548
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1ccc(c(c1)OCC#C)OC
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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 C21H22O8 MW 402.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22O8/c1-4-8-28-18-9-13(6-7-17(18)26-3)15(11-19(24)27-5-2)21-20(25)16(23)10-14(12-22)29-21/h1,6-7,9-10,15,22,25H,5,8,11-12H2,2-3H3InChIKey
KQHPGCNHXLYECE-UHFFFAOYSA-NSynonyms
1324097-88-21324097882
CCOC(=O)CC(C1=CC(=C(C=C1)OC)OCC#C)C2=C(C(=O)C=C(O2)CO)O
ethyl3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)3(4methoxy3(prop2yn1yloxy)phenyl)propanoate
ethyl3(3hydroxy6(hydroxymethyl)4oxopyran2yl)3(4methoxy3prop2ynoxyphenyl)propanoate
InChI=1SC21H22O8c1482818913(6717(18)263)15(1119(24)2752)2120(25)16(23)1014(1222)2921h167910152225H581112H223H3
MFCD19708597
ZINC000071279909
ZINC000071279910
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