Vitas-M small molecule compound

2-(3-hydroxyphenyl)-3a-methyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STK380597
SMILES Oc1cccc(c1)N1C(=O)C2C(C1=O)(C)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 C16H15NO3 MW 269.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO3/c1-16-10-6-5-9(7-10)13(16)14(19)17(15(16)20)11-3-2-4-12(18)8-11/h2-6,8-10,13,18H,7H2,1H3
InChIKey
RMDAAPBVQGJWQY-UHFFFAOYSA-N
Synonyms

2(3hydroxyphenyl)3amethyl3a477atetrahydro1H47methanoisoindole13(2H)dione
CC12C3CC(C1C(=O)N(C2=O)C4=CC(=CC=C4)O)C=C3
InChI=1SC16H15NO3c11610659(710)13(16)14(19)17(15(16)20)1132412(18)811h268101318H7H21H3
MFCD02207464
ZINC000101841844
ZINC000101994943

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Available files

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