Vitas-M small molecule compound
methyl 3-(3,4-dimethoxyphenyl)-3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-yl]propanoate
Catalog ID
STL549522
SMILES COC(=O)CC(c1c(O)ccc2c1O/C(=C\N1CCOCC1)/C2=O)c1ccc(c(c1)OC)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/c1-30-19-7-4-15(12-20(19)31-2)17(13-22(28)32-3)23-18(27)6-5-16-24(29)21(34-25(16)23)14-26-8-10-33-11-9-26/h4-7,12,14,17,27H,8-11,13H2,1-3H3/b21-14-InChIKey
QDPCKLNPLWEGMN-STZFKDTASA-NSynonyms
(Z)methyl3(34dimethoxyphenyl)3(6hydroxy2(morpholinomethylene)3oxo23dihydrobenzofuran7yl)propanoate
127253202
COC(=O)CC(c1c(O)ccc2c1OC(=CN1CCOCC1)C2=O)c1ccc(c(c1)OC)OC
InChI=1SC25H27NO8c130197415(1220(19)312)17(1322(28)323)2318(27)651624(29)21(3425(16)23)14268103311926h4712141727H81113H213H3b2114
methyl3(34dimethoxyphenyl)3((2~(Z))6hydroxy2(morpholin4ylmethylidene)3oxo1benzofuran7yl)propanoate
methyl3(34dimethoxyphenyl)3((2Z)6hydroxy2(morpholin4ylmethylidene)3oxo23dihydro1benzofuran7yl)propanoate
MFCD31757033
ZINC000604405554
ZINC001081804369
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