Vitas-M small molecule compound

2-[(3,5-dicarboxyphenyl)amino]-5-nitrobenzenesulfonate

Catalog ID
STK383738
SMILES OC(=O)c1cc(cc(c1)C(=O)O)Nc1ccc(cc1S(=O)(=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 C14H9N2O9S MW 381.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10N2O9S/c17-13(18)7-3-8(14(19)20)5-9(4-7)15-11-2-1-10(16(21)22)6-12(11)26(23,24)25/h1-6,15H,(H,17,18)(H,19,20)(H,23,24,25)/p-1
InChIKey
CMAKZKYZIKSINK-UHFFFAOYSA-M
Synonyms
478250-32-7
2((35dicarboxyphenyl)amino)5nitrobenzenesulfonate
2(35DICARBOXYANILINO)5NITROBENZENESULFONATE
478250327
C1=CC(=C(C=C1(N+)(=O)(O))S(=O)(=O)(O))NC2=CC(=CC(=C2)C(=O)O)C(=O)O
InChI=1SC14H10N2O9Sc1713(18)738(14(19)20)59(47)15112110(16(21)22)612(11)26(2324)25h1615H(H1718)(H1920)(H232425)p1
MFCD11853230
OC(=O)c1cc(cc(c1)C(=O)O)Nc1ccc(cc1S(=O)(=O)(O))(N+)(=O)(O)
ZINC000004108257

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Available files

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