Vitas-M small molecule compound
(3aR,4R,4aR,7aS,8R,8aR)-3-(2-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
STK585718
SMILES CN(CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1ccccc1Cl)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)14-11-9-12(15(14)20(24)26)18-16(11)17(22-27-18)10-5-3-4-6-13(10)21/h3-6,11-12,14-16,18H,7-9H2,1-2H3/t11-,12+,14+,15-,16+,18+/m0/s1InChIKey
IQBOVUSUIVQXKK-JRYUUTJWSA-NSynonyms
1212336-82-7(3aR4R4aR7aS8R8aR)3(2chlorophenyl)6(2(dimethylamino)ethyl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
(3aR4R4aR7aS8R8aR)3(2chlorophenyl)6(2(dimethylamino)ethyl)4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
1212336827
CN(C)CCN1C(=O)C2C3CC(C2C1=O)C4C3C(=NO4)C5=CC=CC=C5Cl
CN(CCN1C(=O)(C@H)2(C@@H)(C1=O)(C@@H)1C(C@H)2(C@H)2(C@@H)1ON=C2c1ccccc1Cl)C
CN(CCN1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1C(C@@H)2(C@H)2(C@@H)1ON=C2c1ccccc1Cl)C
InChI=1SC20H22ClN3O3c123(2)782419(25)1411912(15(14)20(24)26)1816(11)17(222718)10534613(10)21h361112141618H79H212H3t1112+1415+1618m1s1
MFCD18245782
ZINC000005307219
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.