Vitas-M small molecule compound

2,2'-(2-chlorobenzene-1,4-diyl)bis(5-nitro-1H-isoindole-1,3(2H)-dione)

Catalog ID
STK391508
SMILES O=C1c2cc(ccc2C(=O)N1c1ccc(c(c1)Cl)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])[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 C22H9ClN4O8 MW 492.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H9ClN4O8/c23-17-9-10(24-19(28)13-4-1-11(26(32)33)7-15(13)21(24)30)3-6-18(17)25-20(29)14-5-2-12(27(34)35)8-16(14)22(25)31/h1-9H
InChIKey
BWBLAXAWDFOXNX-UHFFFAOYSA-N
Synonyms

2(2CHLORO4(5NITRO13DIOXOBENZO(C)AZOLIN2YL)PHENYL)5NITROBENZO(C)AZOLINE13DIONE
2(3CHLORO4(5NITRO13DIOXOISOINDOL2YL)PHENYL)5NITROISOINDOLE13DIONE
22(2chlorobenzene14diyl)bis(5nitro1Hisoindole13(2H)dione)
C1=CC(=C(C=C1N2C(=O)C3=C(C2=O)C=C(C=C3)(N+)(=O)(O))Cl)N4C(=O)C5=C(C4=O)C=C(C=C5)(N+)(=O)(O)
InChI=1SC22H9ClN4O8c2317910(2419(28)134111(26(32)33)715(13)21(24)30)3618(17)2520(29)145212(27(34)35)816(14)22(25)31h19H
MFCD00316861
O=C1c2cc(ccc2C(=O)N1c1ccc(c(c1)Cl)N1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O))(N+)(=O)(O)
ZINC000003144208
ZINC03144208
ZINC3144208

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Available files

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