Vitas-M small molecule compound
3,3'-methanediylbis(6-{[(3-nitrophenoxy)acetyl]amino}benzoic acid)
Catalog ID
STK299491
SMILES O=C(Nc1ccc(cc1C(=O)O)Cc1ccc(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 C31H24N4O12 MW 644.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24N4O12/c36-28(16-46-22-5-1-3-20(14-22)34(42)43)32-26-9-7-18(12-24(26)30(38)39)11-19-8-10-27(25(13-19)31(40)41)33-29(37)17-47-23-6-2-4-21(15-23)35(44)45/h1-10,12-15H,11,16-17H2,(H,32,36)(H,33,37)(H,38,39)(H,40,41)InChIKey
JLXRXKMZSSZTRH-UHFFFAOYSA-NSynonyms
33methanediylbis(6(((3nitrophenoxy)acetyl)amino)benzoicacid)
5((3carboxy4((2(3nitrophenoxy)acetyl)amino)phenyl)methyl)2((2(3nitrophenoxy)acetyl)amino)benzoicacid
C1=CC(=CC(=C1)OCC(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)COC4=CC=CC(=C4)(N+)(=O)(O))C(=O)O)C(=O)O)(N+)(=O)(O)
InChI=1SC31H24N4O12c3628(16462251320(1422)34(42)43)32269718(1224(26)30(38)39)111981027(25(1319)31(40)41)3329(37)17472362421(1523)35(44)45h1101215H111617H2(H3236)(H3337)(H3839)(H4041)
MFCD02032106
O=C(Nc1ccc(cc1C(=O)O)Cc1ccc(c(c1)C(=O)O)NC(=O)COc1cccc(c1)(N+)(=O)(O))COc1cccc(c1)(N+)(=O)(O)
ZINC000150386164
ZINC150386164
Check stock
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Check stock on Vitas-MAvailable files
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