Vitas-M small molecule compound
(2Z)-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
Catalog ID
STK923784
SMILES CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)O/C(=C\c1ccc(cc1)C(=O)OC)/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 C29H22O8 MW 498.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22O8/c1-4-34-19-10-12-23-22(14-19)26(16(2)35-23)29(32)36-20-9-11-21-24(15-20)37-25(27(21)30)13-17-5-7-18(8-6-17)28(31)33-3/h5-15H,4H2,1-3H3/b25-13-InChIKey
RTAQICBOQTUTGK-MXAYSNPKSA-NSynonyms
858769-79-6((2Z)2((4METHOXYCARBONYLPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)5ETHOXY2METHYL1BENZOFURAN3CARBOXYLATE
(2Z)2(4(methoxycarbonyl)benzylidene)3oxo23dihydro1benzofuran6yl5ethoxy2methyl1benzofuran3carboxylate
(Z)2(4(methoxycarbonyl)benzylidene)3oxo23dihydrobenzofuran6yl5ethoxy2methylbenzofuran3carboxylate
2((4(METHOXYCARBONYL)PHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL5ETHOXY2METHYLBENZO(B)FURAN3CARBOXYLATE
858769796
CCOC1=CC2=C(C=C1)OC(=C2C(=O)OC3=CC4=C(C=C3)C(=O)C(=CC5=CC=C(C=C5)C(=O)OC)O4)C
CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)OC(=Cc1ccc(cc1)C(=O)OC)C3=O)c(o2)C
InChI=1SC29H22O8c14341910122322(1419)26(16(2)3523)29(32)36209112124(1520)3725(27(21)30)13175718(8617)28(31)333h515H4H213H3b2513
MFCD04145862
ZINC000011868946
ZINC11868946
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