Vitas-M small molecule compound
dimethyl 2-({(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzene-1,4-dicarboxylate
Catalog ID
STK535792
SMILES N#C/C(=C\Nc1cc(ccc1C(=O)OC)C(=O)OC)/c1scc(n1)c1cccc(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 C22H16BrN3O4S MW 498.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN3O4S/c1-29-21(27)14-6-7-17(22(28)30-2)18(9-14)25-11-15(10-24)20-26-19(12-31-20)13-4-3-5-16(23)8-13/h3-9,11-12,25H,1-2H3/b15-11+InChIKey
UUESWGUPQBGEHC-RVDMUPIBSA-NSynonyms
(E)dimethyl2((2(4(3bromophenyl)thiazol2yl)2cyanovinyl)amino)terephthalate
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)Br
dimethyl2(((E)2(4(3bromophenyl)13thiazol2yl)2cyanoethenyl)amino)benzene14dicarboxylate
InChI=1SC22H16BrN3O4Sc12921(27)146717(22(28)302)18(914)251115(1024)202619(123120)1343516(23)813h39111225H12H3b1511+
MFCD02983686
N#CC(=CNc1cc(ccc1C(=O)OC)C(=O)OC)c1scc(n1)c1cccc(c1)Br
ZINC000002307799
ZINC02307799
ZINC2307799
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