Vitas-M small molecule compound

2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone

Catalog ID
STK544272
SMILES O=C1C2C(C(=O)N1c1ccc(cc1)Cl)C1CC(=O)C2CC1=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 C16H12ClNO4 MW 317.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClNO4/c17-7-1-3-8(4-2-7)18-15(21)13-9-5-11(19)10(6-12(9)20)14(13)16(18)22/h1-4,9-10,13-14H,5-6H2
InChIKey
YLVNQBPUQHVOGL-UHFFFAOYSA-N
Synonyms
495385-60-9
(3aR4R7R7aS)2(4chlorophenyl)tetrahydro1H47ethanoisoindole1358(2H6H)tetraone
2(4chlorophenyl)tetrahydro1H47ethanoisoindole1358(2H4H)tetrone
495385609
C1C2C3C(C(C1=O)CC2=O)C(=O)N(C3=O)C4=CC=C(C=C4)Cl
InChI=1SC16H12ClNO4c177138(427)1815(21)139511(19)10(612(9)20)14(13)16(18)22h149101314H56H2
MFCD03083249
ZINC000100824922
ZINC000102690043

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.