Vitas-M small molecule compound

{4-[(3aR,4R,4aR,7aS,8R,8aR)-6-(3-chloro-4-fluorophenyl)-5,7-dioxo-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
STK585134
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)c1ccc(c(c1)Cl)F

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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 C24H17ClFN3O4 MW 465.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17ClFN3O4/c25-16-9-12(3-6-17(16)26)29-23(30)18-14-10-15(19(18)24(29)31)22-20(14)21(28-33-22)11-1-4-13(5-2-11)32-8-7-27/h1-6,9,14-15,18-20,22H,8,10H2/t14-,15+,18+,19-,20+,22+/m0/s1
InChIKey
PZLQLRGMDWGSHL-KXYKCTRLSA-N
Synonyms
1013982-01-8
(4((3aR4R4aR7aS8R8aR)6(3chloro4fluorophenyl)57dioxo44a5677a88aoctahydro3aH48methano(12)oxazolo(45f)isoindol3yl)phenoxy)acetonitrile
1013982018
2(4((3aR4R4aR7aS8R8aR)6(3chloro4fluorophenyl)57dioxo44a5677a88aoctahydro3aH48methanoisoxazolo(45f)isoindol3yl)phenoxy)acetonitrile
MFCD18245766
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)c1ccc(c(c1)Cl)F
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)c1ccc(c(c1)Cl)F
ZINC000013557237

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Available files

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