Vitas-M small molecule compound
6-(4-acetylphenyl)-3-(4-methoxyphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Catalog ID
STK782933
SMILES COc1ccc(cc1)C1=NOC2C1C1CC2C2C1C(=O)N(C2=O)c1ccc(cc1)C(=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 C25H22N2O5 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5/c1-12(28)13-3-7-15(8-4-13)27-24(29)19-17-11-18(20(19)25(27)30)23-21(17)22(26-32-23)14-5-9-16(31-2)10-6-14/h3-10,17-21,23H,11H2,1-2H3InChIKey
SGFCGXPPKHOTIJ-UHFFFAOYSA-NSynonyms
(3aS4S4aR7aS8S8aS)6(4acetylphenyl)3(4methoxyphenyl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
6(4acetylphenyl)3(4methoxyphenyl)4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
CC(=O)C1=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)C(=O)C
InChI=1SC25H22N2O5c112(28)133715(8413)2724(29)19171118(20(19)25(27)30)2321(17)22(263223)145916(312)10614h310172123H11H212H3
MFCD06617241
ZINC000245256749
ZINC000245256752
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