Vitas-M small molecule compound

dimethyl 3,3'-(3,3'-dinitrobiphenyl-4,4'-diyl)bis(2-chloro-2-methylpropanoate)

Catalog ID
STL235105
SMILES COC(=O)C(Cc1ccc(cc1[N+](=O)[O-])c1ccc(c(c1)[N+](=O)[O-])CC(C(=O)OC)(Cl)C)(Cl)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 C22H22Cl2N2O8 MW 513.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N2O8/c1-21(23,19(27)33-3)11-15-7-5-13(9-17(15)25(29)30)14-6-8-16(18(10-14)26(31)32)12-22(2,24)20(28)34-4/h5-10H,11-12H2,1-4H3
InChIKey
VONXVTILCSXAJC-UHFFFAOYSA-N
Synonyms

CC(CC1=C(C=C(C=C1)C2=CC(=C(C=C2)CC(C)(C(=O)OC)Cl)(N+)(=O)(O))(N+)(=O)(O))(C(=O)OC)Cl
COC(=O)C(Cc1ccc(cc1(N+)(=O)(O))c1ccc(c(c1)(N+)(=O)(O))CC(C(=O)OC)(Cl)C)(Cl)C
dimethyl33(33dinitro(11biphenyl)44diyl)bis(2chloro2methylpropanoate)
dimethyl33(33dinitrobiphenyl44diyl)bis(2chloro2methylpropanoate)
InChI=1SC22H22Cl2N2O8c121(2319(27)333)11157513(917(15)25(29)30)146816(18(1014)26(31)32)1222(224)20(28)344h510H1112H214H3
METHYL2CHLORO3(4(4(2CHLORO3METHOXY2METHYL3OXOPROPYL)3NITROPHENYL)2NITROPHENYL)2METHYLPROPANOATE
MFCD00691327
ZINC000002291600
ZINC000012436563

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Available files

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