Vitas-M small molecule compound
methyl 3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-yl]-3-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}propanoate
Catalog ID
STL551335
SMILES COC(=O)CC(c1c(O)ccc2c1O/C(=C\N1CCOCC1)/C2=O)c1ccc(c(c1)OC)OCC(=C)C
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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 C28H31NO8 MW 509.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO8/c1-17(2)16-36-22-8-5-18(13-23(22)33-3)20(14-25(31)34-4)26-21(30)7-6-19-27(32)24(37-28(19)26)15-29-9-11-35-12-10-29/h5-8,13,15,20,30H,1,9-12,14,16H2,2-4H3/b24-15-InChIKey
SYCFQYRAHUOANU-IWIPYMOSSA-NSynonyms
(Z)methyl3(6hydroxy2(morpholinomethylene)3oxo23dihydrobenzofuran7yl)3(3methoxy4((2methylallyl)oxy)phenyl)propanoate
127252748
COC(=O)CC(c1c(O)ccc2c1OC(=CN1CCOCC1)C2=O)c1ccc(c(c1)OC)OCC(=C)C
InChI=1SC28H31NO8c117(2)1636228518(1323(22)333)20(1425(31)344)2621(30)761927(32)24(3728(19)26)152991135121029h5813152030H19121416H224H3b2415
methyl3((2~(Z))6hydroxy2(morpholin4ylmethylidene)3oxo1benzofuran7yl)3(3methoxy4(2methylprop2enoxy)phenyl)propanoate
methyl3((2Z)6hydroxy2(morpholin4ylmethylidene)3oxo23dihydro1benzofuran7yl)3(3methoxy4((2methylprop2en1yl)oxy)phenyl)propanoate
MFCD31758078
ZINC000604405450
ZINC001081803931
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