Vitas-M small molecule compound

2,2'-[(5-{[(4-nitrophenyl)carbonyl]amino}benzene-1,3-diyl)bis(carbonylimino)]dibenzoic acid

Catalog ID
STK295991
SMILES O=C(c1cc(cc(c1)C(=O)Nc1ccccc1C(=O)O)NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccccc1C(=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 C29H20N4O9 MW 568.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20N4O9/c34-25(16-9-11-20(12-10-16)33(41)42)30-19-14-17(26(35)31-23-7-3-1-5-21(23)28(37)38)13-18(15-19)27(36)32-24-8-4-2-6-22(24)29(39)40/h1-15H,(H,30,34)(H,31,35)(H,32,36)(H,37,38)(H,39,40)
InChIKey
AXRGITRCVOBNGH-UHFFFAOYSA-N
Synonyms

2((3((2carboxyphenyl)carbamoyl)5((4nitrobenzoyl)amino)benzoyl)amino)benzoicacid
22((5(((4nitrophenyl)carbonyl)amino)benzene13diyl)bis(carbonylimino))dibenzoicacid
C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC(=C2)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)NC4=CC=CC=C4C(=O)O
InChI=1SC29H20N4O9c3425(1691120(121016)33(41)42)30191417(26(35)3123731521(23)28(37)38)1318(1519)27(36)3224842622(24)29(39)40h115H(H3034)(H3135)(H3236)(H3738)(H3940)
MFCD00306220
O=C(c1cc(cc(c1)C(=O)Nc1ccccc1C(=O)O)NC(=O)c1ccc(cc1)(N+)(=O)(O))Nc1ccccc1C(=O)O
ZINC000003142802
ZINC3142802

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Available files

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