Vitas-M small molecule compound
2-{[(2E)-2-cyano-3-(2-nitrophenyl)prop-2-enoyl]amino}benzoic acid
Catalog ID
STK094493
SMILES N#C/C(=C\c1ccccc1[N+](=O)[O-])/C(=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 C17H11N3O5 MW 337.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11N3O5/c18-10-12(9-11-5-1-4-8-15(11)20(24)25)16(21)19-14-7-3-2-6-13(14)17(22)23/h1-9H,(H,19,21)(H,22,23)/b12-9+InChIKey
TZDIIPWGCAABCV-FMIVXFBMSA-NSynonyms
345241-41-02(((2E)2CYANO3(2NITROPHENYL)PROP2ENOYL)AMINO)BENZOICACID
2(((E)2CYANO3(2NITROPHENYL)PROP2ENOYL)AMINO)BENZOICACID
2((2E)2CYANO3(2NITROPHENYL)PROP2ENOYLAMINO)BENZOICACID
345241410
C1=CC=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)(N+)(=O)(O)
InChI=1SC17H11N3O5c181012(911514815(11)20(24)25)16(21)1914732613(14)17(22)23h19H(H1921)(H2223)b129+
MFCD02188375
N#CC(=Cc1ccccc1(N+)(=O)(O))C(=O)Nc1ccccc1C(=O)O
STK094493
ZINC000004513245
ZINC4513245
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