Vitas-M small molecule compound
(3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Catalog ID
STK590768
SMILES Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1O[C@H]2[C@H]2[C@@H]1ON=C2c1ccccc1Cl
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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 C22H17ClN2O4 MW 408.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O4/c1-10-6-8-11(9-7-10)25-21(26)14-15(22(25)27)19-20-16(18(14)28-19)17(24-29-20)12-4-2-3-5-13(12)23/h2-9,14-16,18-20H,1H3/t14-,15+,16-,18-,19+,20-/m0/s1InChIKey
BEOMBOUNMHUPDF-AEVHBADWSA-NSynonyms
1164558-35-3(3aS4R4aS7aR8R8aS)3(2chlorophenyl)6(4methylphenyl)4a7a88atetrahydro3aH48epoxy(12)oxazolo(45f)isoindole57(4H6H)dione
(3aS4R4aS7aR8R8aS)3(2chlorophenyl)6(ptolyl)44a88atetrahydro3aH48epoxyisoxazolo(45f)isoindole57(6H7aH)dione
1164558353
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5C(C3O4)C(=NO5)C6=CC=CC=C6Cl
Cc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@H)1O(C@H)2(C@H)2(C@@H)1ON=C2c1ccccc1Cl
Cc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1O(C@@H)2(C@H)2(C@@H)1ON=C2c1ccccc1Cl
InChI=1SC22H17ClN2O4c1106811(9710)2521(26)1415(22(25)27)192016(18(14)2819)17(242920)12423513(12)23h2914161820H1H3t1415+1618+1920m0s1
MFCD18245894
ZINC000005443589
Check stock
See real-time availability and sample size for STK590768 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.