Vitas-M small molecule compound
methyl (4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate
Catalog ID
STK182286
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCC(=O)OC)/C(=O)Nc1cccc(c1)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 C20H17BrN2O5 MW 445.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O5/c1-26-18-9-13(6-7-17(18)28-12-19(24)27-2)8-14(11-22)20(25)23-16-5-3-4-15(21)10-16/h3-10H,12H2,1-2H3,(H,23,25)/b14-8+InChIKey
UHDIORDMVAAGMV-RIYZIHGNSA-NSynonyms
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)Br)OCC(=O)OC
InChI=1SC20H17BrN2O5c12618913(6717(18)281219(24)272)814(1122)20(25)231653415(21)1016h310H12H212H3(H2325)b148+
METHYL(4((1E)3((3BROMOPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)2METHOXYPHENOXY)ACETATE
METHYL2(4((E)3(3BROMOANILINO)2CYANO3OXOPROP1ENYL)2METHOXYPHENOXY)ACETATE
MFCD02194779
N#CC(=Cc1ccc(c(c1)OC)OCC(=O)OC)C(=O)Nc1cccc(c1)Br
ZINC000001210843
ZINC01210843
ZINC1210843
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