Vitas-M small molecule compound
methyl 3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-yl]-3-[3-(pyrimidin-2-yloxy)phenyl]propanoate
Catalog ID
STL549866
SMILES COC(=O)CC(c1c(O)ccc2c1O/C(=C\N1CCOCC1)/C2=O)c1cccc(c1)Oc1ncccn1
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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 C27H25N3O7 MW 503.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O7/c1-34-23(32)15-20(17-4-2-5-18(14-17)36-27-28-8-3-9-29-27)24-21(31)7-6-19-25(33)22(37-26(19)24)16-30-10-12-35-13-11-30/h2-9,14,16,20,31H,10-13,15H2,1H3/b22-16-InChIKey
WJZKLTXVIBOAPZ-JWGURIENSA-NSynonyms
(Z)methyl3(6hydroxy2(morpholinomethylene)3oxo23dihydrobenzofuran7yl)3(3(pyrimidin2yloxy)phenyl)propanoate
127253769
COC(=O)CC(c1c(O)ccc2c1OC(=CN1CCOCC1)C2=O)c1cccc(c1)Oc1ncccn1
InChI=1SC27H25N3O7c13423(32)1520(1742518(1417)3627288392927)2421(31)761925(33)22(3726(19)24)1630101235131130h2914162031H101315H21H3b2216
methyl3((2~(Z))6hydroxy2(morpholin4ylmethylidene)3oxo1benzofuran7yl)3(3pyrimidin2yloxyphenyl)propanoate
methyl3((2Z)6hydroxy2(morpholin4ylmethylidene)3oxo23dihydro1benzofuran7yl)3(3(pyrimidin2yloxy)phenyl)propanoate
MFCD31757255
ZINC000604405102
ZINC001081804436
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