Vitas-M small molecule compound

4,4'-bis(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)biphenyl-2,2'-disulfonic acid

Catalog ID
STK366529
SMILES O=c1c2cccc3c2c(c(=O)n1c1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)n1c(=O)c2cccc4c2c(c1=O)ccc4)ccc3

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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 C36H20N2O10S2 MW 704.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H20N2O10S2/c39-33-25-9-1-5-19-6-2-10-26(31(19)25)34(40)37(33)21-13-15-23(29(17-21)49(43,44)45)24-16-14-22(18-30(24)50(46,47)48)38-35(41)27-11-3-7-20-8-4-12-28(32(20)27)36(38)42/h1-18H,(H,43,44,45)(H,46,47,48)
InChIKey
NPJACGWLTQMEND-UHFFFAOYSA-N
Synonyms

44bis(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)(11biphenyl)22disulfonicacid
44bis(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)biphenyl22disulfonicacid
5(13DIOXOBENZO(DE)ISOQUINOLIN2YL)2(4(13DIOXOBENZO(DE)ISOQUINOLIN2YL)2SULFOPHENYL)BENZENESULFONICACID
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CC(=C(C=C4)C5=C(C=C(C=C5)N6C(=O)C7=CC=CC8=C7C(=CC=C8)C6=O)S(=O)(=O)O)S(=O)(=O)O
InChI=1SC36H20N2O10S2c39332591519621026(31(19)25)34(40)37(33)21131523(29(1721)49(4344)45)24161422(1830(24)50(4647)48)3835(41)27113720841228(32(20)27)36(38)42h118H(H434445)(H464748)
MFCD00308383
ZINC000004015305
ZINC4015305

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Available files

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