Vitas-M small molecule compound

3,5-bis{[(3,5-dinitrophenyl)carbonyl]amino}benzoic acid

Catalog ID
STK000838
SMILES OC(=O)c1cc(cc(c1)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])NC(=O)c1cc(cc(c1)[N+](=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 C21H12N6O12 MW 540.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N6O12/c28-19(10-3-15(24(32)33)8-16(4-10)25(34)35)22-13-1-12(21(30)31)2-14(7-13)23-20(29)11-5-17(26(36)37)9-18(6-11)27(38)39/h1-9H,(H,22,28)(H,23,29)(H,30,31)
InChIKey
HQYYKSGTZFTRGC-UHFFFAOYSA-N
Synonyms

35BIS(((35DINITROPHENYL)CARBONYL)AMINO)BENZOICACID
35BIS((35DINITROBENZOYL)AMINO)BENZOICACID
35BIS((35DINITROPHENYL)CARBONYLAMINO)BENZOICACID
35BIS(35DINITROBENZOYLAMINO)BENZOICACID
C1=C(C=C(C=C1NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O))NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O))C(=O)O
InChI=1SC21H12N6O12c2819(10315(24(32)33)816(410)25(34)35)2213112(21(30)31)214(713)2320(29)11517(26(36)37)918(611)27(38)39h19H(H2228)(H2329)(H3031)
MFCD00305989
OC(=O)c1cc(cc(c1)NC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))NC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
STK000838
ZINC000101372673
ZINC101372673

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Available files

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