Vitas-M small molecule compound
(3aS,4R,4aS,7aR,8R,8aS)-6-benzyl-3-(4-chlorophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Catalog ID
STK578938
SMILES Clc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1O[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)Cc1ccccc1
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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/c23-13-8-6-12(7-9-13)17-16-18-14-15(19(28-18)20(16)29-24-17)22(27)25(21(14)26)10-11-4-2-1-3-5-11/h1-9,14-16,18-20H,10H2/t14-,15+,16-,18-,19+,20-/m0/s1InChIKey
XNOJIQJUXYHPBZ-AEVHBADWSA-NSynonyms
1212364-02-7(3aS4R4aS7aR8R8aS)6benzyl3(4chlorophenyl)44a88atetrahydro3aH48epoxyisoxazolo(45f)isoindole57(6H7aH)dione
(3aS4R4aS7aR8R8aS)6benzyl3(4chlorophenyl)4a7a88atetrahydro3aH48epoxy(12)oxazolo(45f)isoindole57(4H6H)dione
1212364027
C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C4C5C(C3O4)C(=NO5)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C1=NO(C@H)2(C@@H)1(C@@H)1O(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)Cc1ccccc1
Clc1ccc(cc1)C1=NO(C@H)2(C@@H)1(C@H)1O(C@@H)2(C@H)2(C@@H)1C(=O)N(C2=O)Cc1ccccc1
InChI=1SC22H17ClN2O4c23138612(7913)1716181415(19(2818)20(16)292417)22(27)25(21(14)26)10114213511h1914161820H10H2t1415+1618+1920m0s1
MFCD18245616
ZINC000005396066
Check stock
See real-time availability and sample size for STK578938 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.