Vitas-M small molecule compound

4,4'-bis{[(3-nitrophenoxy)acetyl]amino}biphenyl-3,3'-dicarboxylic acid

Catalog ID
STK000311
SMILES O=C(Nc1ccc(cc1C(=O)O)c1ccc(c(c1)C(=O)O)NC(=O)COc1cccc(c1)[N+](=O)[O-])COc1cccc(c1)[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 C30H22N4O12 MW 630.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N4O12/c35-27(15-45-21-5-1-3-19(13-21)33(41)42)31-25-9-7-17(11-23(25)29(37)38)18-8-10-26(24(12-18)30(39)40)32-28(36)16-46-22-6-2-4-20(14-22)34(43)44/h1-14H,15-16H2,(H,31,35)(H,32,36)(H,37,38)(H,39,40)
InChIKey
HDDYCILSDVCYIU-UHFFFAOYSA-N
Synonyms

44BIS(((3NITROPHENOXY)ACETYL)AMINO)BIPHENYL33DICARBOXYLICACID
5(3CARBOXY4((2(3NITROPHENOXY)ACETYL)AMINO)PHENYL)2((2(3NITROPHENOXY)ACETYL)AMINO)BENZOICACID
C1=CC(=CC(=C1)OCC(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC(=O)COC4=CC=CC(=C4)(N+)(=O)(O))C(=O)O)C(=O)O)(N+)(=O)(O)
InChI=1SC30H22N4O12c3527(15452151319(1321)33(41)42)31259717(1123(25)29(37)38)1881026(24(1218)30(39)40)3228(36)16462262420(1422)34(43)44h114H1516H2(H3135)(H3236)(H3738)(H3940)
MFCD02032101
O=C(Nc1ccc(cc1C(=O)O)c1ccc(c(c1)C(=O)O)NC(=O)COc1cccc(c1)(N+)(=O)(O))COc1cccc(c1)(N+)(=O)(O)
STK000311
ZINC000150473254
ZINC150473254

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Available files

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