Vitas-M small molecule compound

N-[4-(4-heptylphenoxy)-9,10-dioxo-9,10-dihydroanthracen-1-yl]-4'-octylbiphenyl-4-carboxamide

Catalog ID
STK075523
SMILES CCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Oc1ccc(cc1)CCCCCCC

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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 C48H51NO4 MW 705.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H51NO4/c1-3-5-7-9-11-13-16-34-20-24-36(25-21-34)37-26-28-38(29-27-37)48(52)49-42-32-33-43(45-44(42)46(50)40-18-14-15-19-41(40)47(45)51)53-39-30-22-35(23-31-39)17-12-10-8-6-4-2/h14-15,18-33H,3-13,16-17H2,1-2H3,(H,49,52)
InChIKey
WYPGPJQLFIPLOH-UHFFFAOYSA-N
Synonyms

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C4C(=C(C=C3)OC5=CC=C(C=C5)CCCCCCC)C(=O)C6=CC=CC=C6C4=O
CCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Oc1ccc(cc1)CCCCCCC
InChI=1SC48H51NO4c1357911131634202436(252134)37262838(292737)48(52)4942323343(4544(42)46(50)401814151941(40)47(45)51)5339302235(233139)1712108642h14151833H3131617H212H3(H4952)
MFCD08679763
N(4(4HEPTYLPHENOXY)910DIOXO910DIHYDROANTHRACEN1YL)4OCTYLBIPHENYL4CARBOXAMIDE
N(4(4HEPTYLPHENOXY)910DIOXOANTHRACEN1YL)4(4OCTYLPHENYL)BENZAMIDE
STK075523
ZINC000098045093
ZINC98045093

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Available files

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