Vitas-M small molecule compound
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]phenyl acetate
Catalog ID
STK782964
SMILES COc1ccc(cc1)C1=NOC2C1C1CC2C2C1C(=O)N(C2=O)c1ccc(cc1)OC(=O)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 C25H22N2O6 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O6/c1-12(28)32-16-9-5-14(6-10-16)27-24(29)19-17-11-18(20(19)25(27)30)23-21(17)22(26-33-23)13-3-7-15(31-2)8-4-13/h3-10,17-21,23H,11H2,1-2H3InChIKey
ZGOYGPMYIGGZBU-UHFFFAOYSA-NSynonyms
4((3aS4S4aR7aS8S8aS)3(4methoxyphenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)phenylacetate
4(3(4methoxyphenyl)57dioxo3a44a577a88aoctahydro6H48methano(12)oxazolo(45f)isoindol6yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C6=CC=C(C=C6)OC
COc1ccc(cc1)C1=NO(C@@H)2(C@H)1(C@@H)1C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1)OC(=O)C
InChI=1SC25H22N2O6c112(28)32169514(61016)2724(29)19171118(20(19)25(27)30)2321(17)22(263323)133715(312)8413h310172123H11H212H3
MFCD06617270
ZINC000014945322
ZINC000245257394
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