Vitas-M small molecule compound
methyl (4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,6-dichlorophenoxy)acetate
Catalog ID
STK179429
SMILES N#C/C(=C\c1cc(Cl)c(c(c1)Cl)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 C19H13BrCl2N2O4 MW 484.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13BrCl2N2O4/c1-27-17(25)10-28-18-15(21)6-11(7-16(18)22)5-12(9-23)19(26)24-14-4-2-3-13(20)8-14/h2-8H,10H2,1H3,(H,24,26)/b12-5+InChIKey
SPHTWAPRJAECHR-LFYBBSHMSA-NSynonyms
COC(=O)COC1=C(C=C(C=C1Cl)C=C(C#N)C(=O)NC2=CC(=CC=C2)Br)Cl
InChI=1SC19H13BrCl2N2O4c12717(25)10281815(21)611(716(18)22)512(923)19(26)241442313(20)814h28H10H21H3(H2426)b125+
METHYL(4((1E)3((3BROMOPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)26DICHLOROPHENOXY)ACETATE
METHYL2(4((E)3(3BROMOANILINO)2CYANO3OXOPROP1ENYL)26DICHLOROPHENOXY)ACETATE
MFCD02379145
N#CC(=Cc1cc(Cl)c(c(c1)Cl)OCC(=O)OC)C(=O)Nc1cccc(c1)Br
ZINC000001210908
ZINC01210908
ZINC1210908
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