Vitas-M small molecule compound
methyl 3-[(2Z)-6-hydroxy-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-7-yl]-3-(pyridin-3-yl)propanoate
Catalog ID
STL543976
SMILES COC(=O)CC(c1c(O)ccc2c1O/C(=C\c1cc(OC)c(cc1OC)OC)/C2=O)c1cccnc1
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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 C27H25NO8 MW 491.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO8/c1-32-20-13-22(34-3)21(33-2)10-16(20)11-23-26(31)17-7-8-19(29)25(27(17)36-23)18(12-24(30)35-4)15-6-5-9-28-14-15/h5-11,13-14,18,29H,12H2,1-4H3/b23-11-InChIKey
OJEVINCSFPLQBQ-KSEXSDGBSA-NSynonyms
1676105-01-3(Z)METHYL3(6HYDROXY3OXO2(245TRIMETHOXYBENZYLIDENE)23DIHYDROBENZOFURAN7YL)3(PYRIDIN3YL)PROPANOATE
102565114
1676105013
COC(=O)CC(c1c(O)ccc2c1OC(=Cc1cc(OC)c(cc1OC)OC)C2=O)c1cccnc1
InChI=1SC27H25NO8c132201322(343)21(332)1016(20)112326(31)177819(29)25(27(17)3623)18(1224(30)354)15659281415h51113141829H12H214H3b2311
methyl3((2~(Z))6hydroxy3oxo2((245trimethoxyphenyl)methylidene)1benzofuran7yl)3pyridin3ylpropanoate
methyl3((2Z)6hydroxy3oxo2(245trimethoxybenzylidene)23dihydro1benzofuran7yl)3(pyridin3yl)propanoate
MFCD28985991
ZINC000218110187
ZINC000218110260
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