Vitas-M small molecule compound
(3aR,4R,4aR,7aS,8R,8aR)-3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Catalog ID
STK594548
SMILES CN(CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1ccc(cc1)Cl)C
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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 C20H22ClN3O3 MW 387.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O3/c1-23(2)7-8-24-19(25)14-12-9-13(15(14)20(24)26)18-16(12)17(22-27-18)10-3-5-11(21)6-4-10/h3-6,12-16,18H,7-9H2,1-2H3/t12-,13+,14+,15-,16+,18+/m0/s1InChIKey
HSVBWPQKJKLSAT-PTENTFFRSA-NSynonyms
1212423-76-1(3aR4R4aR7aS8R8aR)3(4chlorophenyl)6(2(dimethylamino)ethyl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
(3aR4R4aR7aS8R8aR)3(4chlorophenyl)6(2(dimethylamino)ethyl)4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
1212423761
CN(C)CCN1C(=O)C2C3CC(C2C1=O)C4C3C(=NO4)C5=CC=C(C=C5)Cl
CN(CCN1C(=O)(C@H)2(C@@H)(C1=O)(C@@H)1C(C@H)2(C@H)2(C@@H)1ON=C2c1ccc(cc1)Cl)C
CN(CCN1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1C(C@@H)2(C@H)2(C@@H)1ON=C2c1ccc(cc1)Cl)C
InChI=1SC20H22ClN3O3c123(2)782419(25)1412913(15(14)20(24)26)1816(12)17(222718)103511(21)6410h36121618H79H212H3t1213+1415+1618m1s1
MFCD18245990
ZINC000005205919
Check stock
See real-time availability and sample size for STK594548 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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