Vitas-M small molecule compound
2-{[(2E)-3-(2-butoxyphenyl)-2-cyanoprop-2-enoyl]amino}benzoic acid
Catalog ID
STK380516
SMILES CCCCOc1ccccc1/C=C(/C(=O)Nc1ccccc1C(=O)O)\C#N
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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 C21H20N2O4 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4/c1-2-3-12-27-19-11-7-4-8-15(19)13-16(14-22)20(24)23-18-10-6-5-9-17(18)21(25)26/h4-11,13H,2-3,12H2,1H3,(H,23,24)(H,25,26)/b16-13+InChIKey
SDQZUMJEOHDTLD-DTQAZKPQSA-NSynonyms
2(((2E)3(2butoxyphenyl)2cyanoprop2enoyl)amino)benzoicacid
2(((E)3(2BUTOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOICACID
2((2E)3(2BUTOXYPHENYL)2CYANOPROP2ENOYLAMINO)BENZOICACID
CCCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O
CCCCOc1ccccc1C=C(C(=O)Nc1ccccc1C(=O)O)C#N
InChI=1SC21H20N2O4c1231227191174815(19)1316(1422)20(24)23181065917(18)21(25)26h41113H2312H21H3(H2324)(H2526)b1613+
MFCD02188866
ZINC000004513249
ZINC4513249
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