Vitas-M small molecule compound
2-{[(2E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino}benzoic acid
Catalog ID
STK040809
SMILES N#C/C(=C\c1cc(OC)c(cc1Br)OC)/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 C19H15BrN2O5 MW 431.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15BrN2O5/c1-26-16-8-11(14(20)9-17(16)27-2)7-12(10-21)18(23)22-15-6-4-3-5-13(15)19(24)25/h3-9H,1-2H3,(H,22,23)(H,24,25)/b12-7+InChIKey
MZSIXMNHRHSPFO-KPKJPENVSA-NSynonyms
2(((2E)3(2BROMO45DIMETHOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOICACID
2(((E)3(2BROMO45DIMETHOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOICACID
COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)Br)OC
InChI=1SC19H15BrN2O5c12616811(14(20)917(16)272)712(1021)18(23)2215643513(15)19(24)25h39H12H3(H2223)(H2425)b127+
MFCD08050674
N#CC(=Cc1cc(OC)c(cc1Br)OC)C(=O)Nc1ccccc1C(=O)O
STK040809
ZINC000009425501
ZINC9425501
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