Vitas-M small molecule compound
methyl 3-[3-(hydroxymethyl)-4-methoxyphenyl]-3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-yl]propanoate
Catalog ID
STL549839
SMILES COC(=O)CC(c1c(O)ccc2c1O/C(=C\N1CCOCC1)/C2=O)c1ccc(c(c1)CO)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 C25H27NO8 MW 469.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO8/c1-31-20-6-3-15(11-16(20)14-27)18(12-22(29)32-2)23-19(28)5-4-17-24(30)21(34-25(17)23)13-26-7-9-33-10-8-26/h3-6,11,13,18,27-28H,7-10,12,14H2,1-2H3/b21-13-InChIKey
FPQKYSXOXHYYLK-BKUYFWCQSA-NSynonyms
(Z)methyl3(6hydroxy2(morpholinomethylene)3oxo23dihydrobenzofuran7yl)3(3(hydroxymethyl)4methoxyphenyl)propanoate
127253298
COC(=O)CC(c1c(O)ccc2c1OC(=CN1CCOCC1)C2=O)c1ccc(c(c1)CO)OC
InChI=1SC25H27NO8c131206315(1116(20)1427)18(1222(29)322)2319(28)541724(30)21(3425(17)23)1326793310826h361113182728H7101214H212H3b2113
methyl3(3(hydroxymethyl)4methoxyphenyl)3((2~(Z))6hydroxy2(morpholin4ylmethylidene)3oxo1benzofuran7yl)propanoate
methyl3(3(hydroxymethyl)4methoxyphenyl)3((2Z)6hydroxy2(morpholin4ylmethylidene)3oxo23dihydro1benzofuran7yl)propanoate
MFCD31757238
ZINC000604404602
ZINC001081804353
Check stock
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