Vitas-M small molecule compound
2-({(2E)-2-cyano-3-[3,5-dibromo-4-(prop-2-en-1-yloxy)phenyl]prop-2-enoyl}amino)benzoic acid
Catalog ID
STK380517
SMILES C=CCOc1c(Br)cc(cc1Br)/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 C20H14Br2N2O4 MW 506.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Br2N2O4/c1-2-7-28-18-15(21)9-12(10-16(18)22)8-13(11-23)19(25)24-17-6-4-3-5-14(17)20(26)27/h2-6,8-10H,1,7H2,(H,24,25)(H,26,27)/b13-8+InChIKey
YGTIHYNNCWCIDF-MDWZMJQESA-NSynonyms
2(((2E)2cyano3(35dibromo4(prop2en1yloxy)phenyl)prop2enoyl)amino)benzoicacid
2(((E)2CYANO3(35DIBROMO4PROP2ENOXYPHENYL)PROP2ENOYL)AMINO)BENZOICACID
2((2E)3(35DIBROMO4PROP2ENYLOXYPHENYL)2CYANOPROP2ENOYLAMINO)BENZOICACID
C=CCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)Br
C=CCOc1c(Br)cc(cc1Br)C=C(C(=O)Nc1ccccc1C(=O)O)C#N
InChI=1SC20H14Br2N2O4c127281815(21)912(1016(18)22)813(1123)19(25)2417643514(17)20(26)27h26810H17H2(H2425)(H2627)b138+
MFCD02314805
ZINC000008861808
ZINC8861808
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