Vitas-M small molecule compound
3-({(2E)-3-[5-bromo-2-(prop-2-en-1-yloxy)phenyl]-2-cyanoprop-2-enoyl}amino)benzoic acid
Catalog ID
STL383466
SMILES C=CCOc1ccc(cc1/C=C(/C(=O)Nc1cccc(c1)C(=O)O)\C#N)Br
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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 C20H15BrN2O4 MW 427.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O4/c1-2-8-27-18-7-6-16(21)10-14(18)9-15(12-22)19(24)23-17-5-3-4-13(11-17)20(25)26/h2-7,9-11H,1,8H2,(H,23,24)(H,25,26)/b15-9+InChIKey
ZHVYEIIHHXMFML-OQLLNIDSSA-NSynonyms
3(((2E)3(5bromo2(prop2en1yloxy)phenyl)2cyanoprop2enoyl)amino)benzoicacid
3(((E)3(5BROMO2PROP2ENOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOICACID
3((2E)3(5BROMO2PROP2ENYLOXYPHENYL)2CYANOPROP2ENOYLAMINO)BENZOICACID
C=CCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O
C=CCOc1ccc(cc1C=C(C(=O)Nc1cccc(c1)C(=O)O)C#N)Br
InChI=1SC20H15BrN2O4c12827187616(21)1014(18)915(1222)19(24)231753413(1117)20(25)26h27911H18H2(H2324)(H2526)b159+
MFCD03154995
ZINC000015277101
ZINC15277101
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