Vitas-M small molecule compound

(3Z,3'Z)-3,3'-(biphenyl-4,4'-diyldinitrilo)bis(5-nitro-1,3-dihydro-2H-indol-2-one)

Catalog ID
STK061356
SMILES O=C1Nc2c(/C/1=N/c1ccc(cc1)c1ccc(cc1)/N=C/1\C(=O)Nc3c1cc(cc3)[N+](=O)[O-])cc(cc2)[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 C28H16N6O6 MW 532.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H16N6O6/c35-27-25(21-13-19(33(37)38)9-11-23(21)31-27)29-17-5-1-15(2-6-17)16-3-7-18(8-4-16)30-26-22-14-20(34(39)40)10-12-24(22)32-28(26)36/h1-14H,(H,29,31,35)(H,30,32,36)
InChIKey
AEPRRVXYPDAUHK-UHFFFAOYSA-N
Synonyms

(3Z3Z)33(BIPHENYL44DIYLDINITRILO)BIS(5NITRO13DIHYDRO2HINDOL2ONE)
5NITRO3(4(4((5NITRO2OXOINDOL3YL)AMINO)PHENYL)ANILINO)INDOL2ONE
C1=CC(=CC=C1C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC3=O)(N+)(=O)(O))NC5=C6C=C(C=CC6=NC5=O)(N+)(=O)(O)
InChI=1SC28H16N6O6c352725(211319(33(37)38)91123(21)3127)29175115(2617)163718(8416)3026221420(34(39)40)101224(22)3228(26)36h114H(H293135)(H303236)
MFCD00556120
O=C1Nc2c(C1=Nc1ccc(cc1)c1ccc(cc1)N=C1C(=O)Nc3c1cc(cc3)(N+)(=O)(O))cc(cc2)(N+)(=O)(O)
STK061356
ZINC000006445024
ZINC6445024

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Available files

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