Vitas-M small molecule compound
ethyl 4-[3-(4-methoxyphenyl)-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
STK782955
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C2C1C(=NO2)c1ccc(cc1)OC
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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 C26H24N2O6 MW 460.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O6/c1-3-33-26(31)14-4-8-15(9-5-14)28-24(29)19-17-12-18(20(19)25(28)30)23-21(17)22(27-34-23)13-6-10-16(32-2)11-7-13/h4-11,17-21,23H,3,12H2,1-2H3InChIKey
VKPTYGJAWYPTCK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C6=CC=C(C=C6)OC
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)OC
ethyl4((3aS4S4aR7aS8S8aS)3(4methoxyphenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)benzoate
ETHYL4(3(4METHOXYPHENYL)57DIOXO3A44A577A88AOCTAHYDRO6H48METHANO(12)OXAZOLO(45F)ISOINDOL6YL)BENZOATE
InChI=1SC26H24N2O6c133326(31)144815(9514)2824(29)19171218(20(19)25(28)30)2321(17)22(273423)1361016(322)11713h411172123H312H212H3
MFCD06617262
ZINC000248260018
ZINC000248260023
Check stock
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Check stock on Vitas-MAvailable files
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