Vitas-M small molecule compound

2,2'-[(diphenylmethanediyl)dibenzene-4,1-diyl]bis(5-nitro-1H-isoindole-1,3(2H)-dione)

Catalog ID
STK296348
SMILES O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)C(c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])(c1ccccc1)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 C41H24N4O8 MW 700.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H24N4O8/c46-37-33-21-19-31(44(50)51)23-35(33)39(48)42(37)29-15-11-27(12-16-29)41(25-7-3-1-4-8-25,26-9-5-2-6-10-26)28-13-17-30(18-14-28)43-38(47)34-22-20-32(45(52)53)24-36(34)40(43)49/h1-24H
InChIKey
LEVVVJQFSINOOS-UHFFFAOYSA-N
Synonyms

22((diphenylmethanediyl)dibenzene41diyl)bis(5nitro1Hisoindole13(2H)dione)
5nitro2(4((4(5nitro13dioxoisoindol2yl)phenyl)diphenylmethyl)phenyl)isoindole13dione
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)(N+)(=O)(O))C6=CC=C(C=C6)N7C(=O)C8=C(C7=O)C=C(C=C8)(N+)(=O)(O)
InChI=1SC41H24N4O8c463733211931(44(50)51)2335(33)39(48)42(37)29151127(121629)41(2573148252695261026)28131730(181428)4338(47)34222032(45(52)53)2436(34)40(43)49h124H
MFCD00303867
O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)C(c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O))(c1ccccc1)c1ccccc1)(N+)(=O)(O)
ZINC000150410294
ZINC150410294

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Available files

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