Vitas-M small molecule compound
4-(4,7-diethyl-1,3,8-trioxo-5,6-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzonitrile
Catalog ID
STK281607
SMILES CCC12C3C(=O)N(C(=O)C3C(C2=O)(C(=C1c1ccccc1)c1ccccc1)CC)c1ccc(cc1)C#N
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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 C32H26N2O3 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N2O3/c1-3-31-24(21-11-7-5-8-12-21)25(22-13-9-6-10-14-22)32(4-2,30(31)37)27-26(31)28(35)34(29(27)36)23-17-15-20(19-33)16-18-23/h5-18,26-27H,3-4H2,1-2H3InChIKey
LNJAXPFFMNHUMP-UHFFFAOYSA-NSynonyms
4(47diethyl138trioxo56diphenyl133a477ahexahydro2H47methanoisoindol2yl)benzonitrile
CCC12C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C#N)C(C1=O)(C(=C2C5=CC=CC=C5)C6=CC=CC=C6)CC
InChI=1SC32H26N2O3c133124(21117581221)25(221396101422)32(4230(31)37)2726(31)28(35)34(29(27)36)23171520(1933)161823h5182627H34H212H3
MFCD00684534
ZINC000008442549
ZINC000102987446
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Check stock on Vitas-MAvailable files
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