Vitas-M small molecule compound
{2-[(3aR,4R,4aR,7aS,8R,8aR)-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
STK589392
SMILES N#CCOc1ccccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)NC2=O
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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 C18H15N3O4 MW 337.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O4/c19-5-6-24-11-4-2-1-3-8(11)15-14-9-7-10(16(14)25-21-15)13-12(9)17(22)20-18(13)23/h1-4,9-10,12-14,16H,6-7H2,(H,20,22,23)/t9-,10+,12+,13-,14+,16+/m0/s1InChIKey
QDQYEXAEJPQHJW-NADOHHQUSA-NSynonyms
1212143-46-8(2((3aR4R4aR7aS8R8aR)57dioxo44a5677a88aoctahydro3aH48methano(12)oxazolo(45f)isoindol3yl)phenoxy)acetonitrile
1212143468
2(2((3aR4R4aR7aS8R8aR)57dioxo44a5677a88aoctahydro3aH48methanoisoxazolo(45f)isoindol3yl)phenoxy)acetonitrile
C1C2C3C(C1C4C2C(=NO4)C5=CC=CC=C5OCC#N)C(=O)NC3=O
InChI=1SC18H15N3O4c1956241142138(11)15149710(16(14)252115)1312(9)17(22)2018(13)23h14910121416H67H2(H202223)t910+1213+1416m1s1
MFCD18245857
N#CCOc1ccccc1C1=NO(C@H)2(C@@H)1(C@@H)1C(C@H)2(C@H)2(C@@H)1C(=O)NC2=O
N#CCOc1ccccc1C1=NO(C@H)2(C@@H)1(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=O)NC2=O
ZINC000005324497
Check stock
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Check stock on Vitas-MAvailable files
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