Vitas-M small molecule compound
methyl 4-(5-{1-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-yl]-3-methoxy-3-oxopropyl}furan-2-yl)benzoate
Catalog ID
STL550829
SMILES COC(=O)CC(c1c(O)ccc2c1O/C(=C\N1CCOCC1)/C2=O)c1ccc(o1)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 C29H27NO9 MW 533.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO9/c1-35-25(32)15-20(23-10-9-22(38-23)17-3-5-18(6-4-17)29(34)36-2)26-21(31)8-7-19-27(33)24(39-28(19)26)16-30-11-13-37-14-12-30/h3-10,16,20,31H,11-15H2,1-2H3/b24-16-InChIKey
ASUBCWATZGNHJS-JLPGSUDCSA-NSynonyms
(Z)methyl4(5(1(6hydroxy2(morpholinomethylene)3oxo23dihydrobenzofuran7yl)3methoxy3oxopropyl)furan2yl)benzoate
127253259
COC(=O)CC(c1c(O)ccc2c1OC(=CN1CCOCC1)C2=O)c1ccc(o1)c1ccc(cc1)C(=O)OC
InChI=1SC29H27NO9c13525(32)1520(2310922(3823)173518(6417)29(34)362)2621(31)871927(33)24(3928(19)26)1630111337141230h310162031H1115H212H3b2416
methyl4(5(1((2~(Z))6hydroxy2(morpholin4ylmethylidene)3oxo1benzofuran7yl)3methoxy3oxopropyl)furan2yl)benzoate
methyl4(5(1((2Z)6hydroxy2(morpholin4ylmethylidene)3oxo23dihydro1benzofuran7yl)3methoxy3oxopropyl)furan2yl)benzoate
MFCD31757797
ZINC000604404268
ZINC001081804344
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