Vitas-M small molecule compound

2-[4-(3-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STK268911
SMILES Cc1cccc(c1)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C=C1

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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 C22H19NO3 MW 345.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO3/c1-13-3-2-4-18(11-13)26-17-9-7-16(8-10-17)23-21(24)19-14-5-6-15(12-14)20(19)22(23)25/h2-11,14-15,19-20H,12H2,1H3
InChIKey
SQBCHPAUYMODSD-UHFFFAOYSA-N
Synonyms

2(4(3methylphenoxy)phenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=CC(=CC=C1)OC2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC22H19NO3c11332418(1113)26179716(81017)2321(24)19145615(1214)20(19)22(23)25h21114151920H12H21H3
MFCD01616479
ZINC000102067632
ZINC000102067643

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Available files

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