Vitas-M small molecule compound

ethyl 4-{(3aR,4R,4aR,7aS,8R,8aR)-3-[2-(cyanomethoxy)phenyl]-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
STK592337
SMILES N#CCOc1ccccc1C1=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)OCC

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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 C27H23N3O6 MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O6/c1-2-34-27(33)14-7-9-15(10-8-14)30-25(31)20-17-13-18(21(20)26(30)32)24-22(17)23(29-36-24)16-5-3-4-6-19(16)35-12-11-28/h3-10,17-18,20-22,24H,2,12-13H2,1H3/t17-,18+,20+,21-,22+,24+/m0/s1
InChIKey
ZGAWSJOVJMISDA-HEUOLSOISA-N
Synonyms
1014002-98-2
1014002982
ethyl4((3aR4R4aR7aS8R8aR)3(2(cyanomethoxy)phenyl)57dioxo3a44a577a88aoctahydro6H48methano(12)oxazolo(45f)isoindol6yl)benzoate
ethyl4((3aR4R4aR7aS8R8aR)3(2(cyanomethoxy)phenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)benzoate
MFCD18245938
N#CCOc1ccccc1C1=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)OCC
N#CCOc1ccccc1C1=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)OCC
ZINC000101297512

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Available files

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