Vitas-M small molecule compound

4-tert-butyl-N-[4-(octylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]benzamide

Catalog ID
STK041690
SMILES CCCCCCCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccc(cc1)C(C)(C)C

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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 C33H38N2O3 MW 510.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N2O3/c1-5-6-7-8-9-12-21-34-26-19-20-27(35-32(38)22-15-17-23(18-16-22)33(2,3)4)29-28(26)30(36)24-13-10-11-14-25(24)31(29)37/h10-11,13-20,34H,5-9,12,21H2,1-4H3,(H,35,38)
InChIKey
AQSATYJLFFGOAQ-UHFFFAOYSA-N
Synonyms

4TERTBUTYLN(4(OCTYLAMINO)910DIOXO910DIHYDROANTHRACEN1YL)BENZAMIDE
4TERTBUTYLN(4(OCTYLAMINO)910DIOXOANTHRACEN1YL)BENZAMIDE
CCCCCCCCNC1=C2C(=C(C=C1)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=CC=C4C2=O
CCCCCCCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccc(cc1)C(C)(C)C
InChI=1SC33H38N2O3c15678912213426192027(3532(38)22151723(181622)33(23)4)2928(26)30(36)241310111425(24)31(29)37h1011132034H591221H214H3(H3538)
MFCD00598921
STK041690
ZINC000098044973
ZINC98044973

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Available files

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