Vitas-M small molecule compound
ethyl 4-[3-(4-methylphenyl)-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl]benzoate
Catalog ID
STK782954
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C2C1C(=NO2)c1ccc(cc1)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 C26H24N2O5 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O5/c1-3-32-26(31)15-8-10-16(11-9-15)28-24(29)19-17-12-18(20(19)25(28)30)23-21(17)22(27-33-23)14-6-4-13(2)5-7-14/h4-11,17-21,23H,3,12H2,1-2H3InChIKey
AKZGLKJMAMTSDA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C6=CC=C(C=C6)C
CCOC(=O)c1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=NO2)c1ccc(cc1)C
ethyl4((3aS4S4aR7aS8S8aS)57dioxo3(ptolyl)4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)benzoate
ethyl4(3(4methylphenyl)57dioxo3a44a577a88aoctahydro6H48methano(12)oxazolo(45f)isoindol6yl)benzoate
InChI=1SC26H24N2O5c133226(31)1581016(11915)2824(29)19171218(20(19)25(28)30)2321(17)22(273323)146413(2)5714h411172123H312H212H3
MFCD06617261
ZINC000245254576
ZINC000245254579
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