Vitas-M small molecule compound
(2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
Catalog ID
STK923785
SMILES CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)O/C(=C\c1ccc(cc1)C)/C3=O)c(o2)C
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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 C28H22O6 MW 454.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22O6/c1-4-31-19-10-12-23-22(14-19)26(17(3)32-23)28(30)33-20-9-11-21-24(15-20)34-25(27(21)29)13-18-7-5-16(2)6-8-18/h5-15H,4H2,1-3H3/b25-13-InChIKey
AIGCOSOTXFKHSX-MXAYSNPKSA-NSynonyms
858764-45-1((2Z)2((4METHYLPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)5ETHOXY2METHYL1BENZOFURAN3CARBOXYLATE
(2Z)2(4methylbenzylidene)3oxo23dihydro1benzofuran6yl5ethoxy2methyl1benzofuran3carboxylate
(Z)2(4methylbenzylidene)3oxo23dihydrobenzofuran6yl5ethoxy2methylbenzofuran3carboxylate
2((4METHYLPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL5ETHOXY2METHYLBENZO(B)FURAN3CARBOXYLATE
858764451
CCOC1=CC2=C(C=C1)OC(=C2C(=O)OC3=CC4=C(C=C3)C(=O)C(=CC5=CC=C(C=C5)C)O4)C
CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)OC(=Cc1ccc(cc1)C)C3=O)c(o2)C
InChI=1SC28H22O6c14311910122322(1419)26(17(3)3223)28(30)33209112124(1520)3425(27(21)29)13187516(2)6818h515H4H213H3b2513
MFCD04143850
ZINC000011868954
ZINC11868954
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