Vitas-M small molecule compound

4-methyl-2-[4-(pyridin-4-ylmethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK358807
SMILES CC1C=CCC2C1C(=O)N(C2=O)c1ccc(cc1)Cc1ccncc1

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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 C21H20N2O2 MW 332.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O2/c1-14-3-2-4-18-19(14)21(25)23(20(18)24)17-7-5-15(6-8-17)13-16-9-11-22-12-10-16/h2-3,5-12,14,18-19H,4,13H2,1H3
InChIKey
OREPKIFRTBQMPH-UHFFFAOYSA-N
Synonyms

4methyl2(4(pyridin4ylmethyl)phenyl)3a477atetrahydro1Hisoindole13(2H)dione
4methyl2(4(pyridin4ylmethyl)phenyl)3a477atetrahydroisoindole13dione
CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)CC4=CC=NC=C4
InChI=1SC21H20N2O2c1143241819(14)21(25)23(20(18)24)177515(6817)131691122121016h23512141819H413H21H3
MFCD01798784
ZINC000020095127
ZINC000239173795

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Available files

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