Vitas-M small molecule compound
methyl 3-(4-hydroxy-3-methoxyphenyl)-3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-yl]propanoate
Catalog ID
STL549717
SMILES COC(=O)CC(c1c(O)ccc2c1O/C(=C\N1CCOCC1)/C2=O)c1ccc(c(c1)OC)O
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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 C24H25NO8 MW 455.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO8/c1-30-19-11-14(3-5-17(19)26)16(12-21(28)31-2)22-18(27)6-4-15-23(29)20(33-24(15)22)13-25-7-9-32-10-8-25/h3-6,11,13,16,26-27H,7-10,12H2,1-2H3/b20-13-InChIKey
OPULJVNWBALOKR-MOSHPQCFSA-NSynonyms
(Z)methyl3(6hydroxy2(morpholinomethylene)3oxo23dihydrobenzofuran7yl)3(4hydroxy3methoxyphenyl)propanoate
127252773
COC(=O)CC(c1c(O)ccc2c1OC(=CN1CCOCC1)C2=O)c1ccc(c(c1)OC)O
InChI=1SC24H25NO8c130191114(3517(19)26)16(1221(28)312)2218(27)641523(29)20(3324(15)22)1325793210825h361113162627H71012H212H3b2013
methyl3(4hydroxy3methoxyphenyl)3((2~(Z))6hydroxy2(morpholin4ylmethylidene)3oxo1benzofuran7yl)propanoate
methyl3(4hydroxy3methoxyphenyl)3((2Z)6hydroxy2(morpholin4ylmethylidene)3oxo23dihydro1benzofuran7yl)propanoate
MFCD31757160
ZINC000604405029
ZINC001081803916
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