Vitas-M small molecule compound
methyl 3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-yl]-3-(pyridin-4-yl)propanoate
Catalog ID
STL549953
SMILES COC(=O)CC(c1c(O)ccc2c1O/C(=C\N1CCOCC1)/C2=O)c1ccncc1
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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 C22H22N2O6 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6/c1-28-19(26)12-16(14-4-6-23-7-5-14)20-17(25)3-2-15-21(27)18(30-22(15)20)13-24-8-10-29-11-9-24/h2-7,13,16,25H,8-12H2,1H3/b18-13-InChIKey
WDRPUHPOYABZIC-AQTBWJFISA-NSynonyms
(Z)methyl3(6hydroxy2(morpholinomethylene)3oxo23dihydrobenzofuran7yl)3(pyridin4yl)propanoate
127253983
COC(=O)CC(c1c(O)ccc2c1OC(=CN1CCOCC1)C2=O)c1ccncc1
InChI=1SC22H22N2O6c12819(26)1216(1446237514)2017(25)321521(27)18(3022(15)20)13248102911924h27131625H812H21H3b1813
methyl3((2~(Z))6hydroxy2(morpholin4ylmethylidene)3oxo1benzofuran7yl)3pyridin4ylpropanoate
methyl3((2Z)6hydroxy2(morpholin4ylmethylidene)3oxo23dihydro1benzofuran7yl)3(pyridin4yl)propanoate
MFCD31757309
ZINC000604406392
ZINC001081804434
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