Vitas-M small molecule compound
methyl 4-{1-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-yl]-3-methoxy-3-oxopropyl}benzoate
Catalog ID
STL549440
SMILES COC(=O)CC(c1c(O)ccc2c1O/C(=C\N1CCOCC1)/C2=O)c1ccc(cc1)C(=O)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 C25H25NO8 MW 467.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO8/c1-31-21(28)13-18(15-3-5-16(6-4-15)25(30)32-2)22-19(27)8-7-17-23(29)20(34-24(17)22)14-26-9-11-33-12-10-26/h3-8,14,18,27H,9-13H2,1-2H3/b20-14-InChIKey
QDFXXBBKWISFHU-ZHZULCJRSA-NSynonyms
(Z)methyl4(1(6hydroxy2(morpholinomethylene)3oxo23dihydrobenzofuran7yl)3methoxy3oxopropyl)benzoate
127254039
COC(=O)CC(c1c(O)ccc2c1OC(=CN1CCOCC1)C2=O)c1ccc(cc1)C(=O)OC
InChI=1SC25H25NO8c13121(28)1318(153516(6415)25(30)322)2219(27)871723(29)20(3424(17)22)142691133121026h38141827H913H212H3b2014
methyl4(1((2~(Z))6hydroxy2(morpholin4ylmethylidene)3oxo1benzofuran7yl)3methoxy3oxopropyl)benzoate
methyl4(1((2Z)6hydroxy2(morpholin4ylmethylidene)3oxo23dihydro1benzofuran7yl)3methoxy3oxopropyl)benzoate
MFCD31756990
ZINC000604406355
ZINC001081804420
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