Vitas-M small molecule compound

4,7-diethyl-2-(2-nitrophenyl)-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione

Catalog ID
STK710053
SMILES CCC12C3C(=O)N(C(=O)C3C(C2=O)(C(=C1c1ccccc1)c1ccccc1)CC)c1ccccc1[N+](=O)[O-]

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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 C31H26N2O5 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O5/c1-3-30-23(19-13-7-5-8-14-19)24(20-15-9-6-10-16-20)31(4-2,29(30)36)26-25(30)27(34)32(28(26)35)21-17-11-12-18-22(21)33(37)38/h5-18,25-26H,3-4H2,1-2H3
InChIKey
DYGSLDJMGUBSDS-UHFFFAOYSA-N
Synonyms

47diethyl2(2nitrophenyl)56diphenyl3a477atetrahydro1H47methanoisoindole138(2H)trione
CCC12C3C(=O)N(C(=O)C3C(C2=O)(C(=C1c1ccccc1)c1ccccc1)CC)c1ccccc1(N+)(=O)(O)
CCC12C3C(C(=O)N(C3=O)C4=CC=CC=C4(N+)(=O)(O))C(C1=O)(C(=C2C5=CC=CC=C5)C6=CC=CC=C6)CC
InChI=1SC31H26N2O5c133023(19137581419)24(201596101620)31(4229(30)36)2625(30)27(34)32(28(26)35)211711121822(21)33(37)38h5182526H34H212H3
MFCD00684533
ZINC000008442553
ZINC000101114573

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Available files

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