Vitas-M small molecule compound

{4-[(3aR,4R,4aR,7aS,8R,8aR)-5,7-dioxo-6-(pyridin-3-ylmethyl)-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindol-3-yl]phenoxy}acetonitrile

Catalog ID
STK591867
SMILES N#CCOc1ccc(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)Cc1cccnc1

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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 C24H20N4O4 MW 428.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O4/c25-7-9-31-15-5-3-14(4-6-15)21-20-16-10-17(22(20)32-27-21)19-18(16)23(29)28(24(19)30)12-13-2-1-8-26-11-13/h1-6,8,11,16-20,22H,9-10,12H2/t16-,17+,18+,19-,20+,22+/m0/s1
InChIKey
QGIBDGKLFHSONI-DJIXWYQQSA-N
Synonyms
1014024-08-8
(4((3aR4R4aR7aS8R8aR)57dioxo6(pyridin3ylmethyl)44a5677a88aoctahydro3aH48methano(12)oxazolo(45f)isoindol3yl)phenoxy)acetonitrile
1014024088
2(4((3aR4R4aR7aS8R8aR)57dioxo6(pyridin3ylmethyl)44a5677a88aoctahydro3aH48methanoisoxazolo(45f)isoindol3yl)phenoxy)acetonitrile
MFCD18245925
N#CCOc1ccc(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)Cc1cccnc1
N#CCOc1ccc(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)Cc1cccnc1
ZINC000009488358

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Available files

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