Vitas-M small molecule compound

propane-2,2-diylbis-2,6-dichlorobenzene-4,1-diyl bis(4-nitrobenzenesulfonate)

Catalog ID
STK369102
SMILES CC(c1cc(Cl)c(c(c1)Cl)OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])(c1cc(Cl)c(c(c1)Cl)OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])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 C27H18Cl4N2O10S2 MW 736.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18Cl4N2O10S2/c1-27(2,15-11-21(28)25(22(29)12-15)42-44(38,39)19-7-3-17(4-8-19)32(34)35)16-13-23(30)26(24(31)14-16)43-45(40,41)20-9-5-18(6-10-20)33(36)37/h3-14H,1-2H3
InChIKey
NGGLSBXGXRPYKK-UHFFFAOYSA-N
Synonyms

(26DICHLORO4(2(35DICHLORO4(4NITROPHENYL)SULFONYLOXYPHENYL)PROPAN2YL)PHENYL)4NITROBENZENESULFONATE
CC(C)(C1=CC(=C(C(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)(N+)(=O)(O))Cl)C3=CC(=C(C(=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)(N+)(=O)(O))Cl
CC(c1cc(Cl)c(c(c1)Cl)OS(=O)(=O)c1ccc(cc1)(N+)(=O)(O))(c1cc(Cl)c(c(c1)Cl)OS(=O)(=O)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC27H18Cl4N2O10S2c127(2151121(28)25(22(29)1215)4244(3839)197317(4819)32(34)35)161323(30)26(24(31)1416)4345(4041)209518(61020)33(36)37h314H12H3
MFCD00301833
propane22diylbis26dichlorobenzene41diylbis(4nitrobenzenesulfonate)
ZINC000150391235
ZINC150391235

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Available files

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