Vitas-M small molecule compound
methyl {(2Z)-3-oxo-2-[4-(propan-2-yl)benzylidene]-2,3-dihydro-11H-furo[2',3':5,6]chromeno[2,3-b]pyridin-11-yl}acetate
Catalog ID
STL551302
SMILES COC(=O)CC1c2c(ccc3c2O/C(=C\c2ccc(cc2)C(C)C)/C3=O)Oc2c1cccn2
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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 C27H23NO5 MW 441.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO5/c1-15(2)17-8-6-16(7-9-17)13-22-25(30)19-10-11-21-24(26(19)32-22)20(14-23(29)31-3)18-5-4-12-28-27(18)33-21/h4-13,15,20H,14H2,1-3H3/b22-13-InChIKey
OFKGYDCNJYZQLI-XKZIYDEJSA-NSynonyms
(Z)methyl2(2(4isopropylbenzylidene)3oxo311dihydro2Hfuro(2356)chromeno(23b)pyridin11yl)acetate
129895352
COC(=O)CC1c2c(ccc3c2OC(=Cc2ccc(cc2)C(C)C)C3=O)Oc2c1cccn2
InChI=1SC27H23NO5c115(2)178616(7917)132225(30)1910112124(26(19)3222)20(1423(29)313)1854122827(18)3321h4131520H14H213H3b2213
methyl((2Z)3oxo2(4(propan2yl)benzylidene)23dihydro11Hfuro(2356)chromeno(23b)pyridin11yl)acetate
methyl2((13~(Z))14oxo13((4propan2ylphenyl)methylidene)212dioxa4azatetracyclo(8700^(38)0^(1115))heptadeca1(10)3(8)4611(15)16hexaen9yl)acetate
MFCD31758060
ZINC000524730585
ZINC001081803275
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