Vitas-M small molecule compound

2-(2-sulfanylphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STK376526
SMILES O=C1C2C3CCC(C2C(=O)N1c1ccccc1S)C3

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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 C15H15NO2S MW 273.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15NO2S/c17-14-12-8-5-6-9(7-8)13(12)15(18)16(14)10-3-1-2-4-11(10)19/h1-4,8-9,12-13,19H,5-7H2
InChIKey
JTNJSFCPMPXINI-UHFFFAOYSA-N
Synonyms

(3aR4S7R7aS)2(2mercaptophenyl)hexahydro1H47methanoisoindole13(2H)dione
2(2sulfanylphenyl)hexahydro1H47methanoisoindole13(2H)dione
C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=CC=C4S
InChI=1SC15H15NO2Sc1714128569(78)13(12)15(18)16(14)10312411(10)19h1489121319H57H2
MFCD01156412
O=C1(C@@H)2(C@H)3CC(C@@H)((C@@H)2C(=O)N1c1ccccc1S)C3
ZINC000100555710
ZINC000245230002

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Available files

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