Vitas-M small molecule compound

{(3aR,4R,4aR,7aS,8R,8aR)-3-[4-(benzyloxy)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}acetic acid

Catalog ID
STK598674
SMILES OC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1ccc(cc1)OCc1ccccc1

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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/c28-18(29)11-27-24(30)19-16-10-17(20(19)25(27)31)23-21(16)22(26-33-23)14-6-8-15(9-7-14)32-12-13-4-2-1-3-5-13/h1-9,16-17,19-21,23H,10-12H2,(H,28,29)/t16-,17+,19+,20-,21+,23+/m0/s1
InChIKey
UEWWZVSNBVXJIG-VDKRJKRFSA-N
Synonyms
1014021-95-4
((3aR4R4aR7aS8R8aR)3(4(benzyloxy)phenyl)57dioxo3a44a577a88aoctahydro6H48methano(12)oxazolo(45f)isoindol6yl)aceticacid
1014021954
2((3aR4R4aR7aS8R8aR)3(4(benzyloxy)phenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)aceticacid
MFCD18246095
OC(=O)CN1C(=O)(C@H)2(C@@H)(C1=O)(C@@H)1C(C@H)2(C@H)2(C@@H)1ON=C2c1ccc(cc1)OCc1ccccc1
OC(=O)CN1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1C(C@@H)2(C@H)2(C@@H)1ON=C2c1ccc(cc1)OCc1ccccc1
ZINC000009448926

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Available files

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