Vitas-M small molecule compound
dimethyl 2-({(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzene-1,4-dicarboxylate
Catalog ID
STK536991
SMILES N#C/C(=C\Nc1cc(ccc1C(=O)OC)C(=O)OC)/c1scc(n1)c1ccc(cc1)[N+](=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 C22H16N4O6S MW 464.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O6S/c1-31-21(27)14-5-8-17(22(28)32-2)18(9-14)24-11-15(10-23)20-25-19(12-33-20)13-3-6-16(7-4-13)26(29)30/h3-9,11-12,24H,1-2H3/b15-11+InChIKey
QDSHYFLHEYFBFJ-RVDMUPIBSA-NSynonyms
(E)dimethyl2((2cyano2(4(4nitrophenyl)thiazol2yl)vinyl)amino)terephthalate
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)(N+)(=O)(O)
dimethyl2(((E)2cyano2(4(4nitrophenyl)13thiazol2yl)ethenyl)amino)benzene14dicarboxylate
InChI=1SC22H16N4O6Sc13121(27)145817(22(28)322)18(914)241115(1023)202519(123320)133616(7413)26(29)30h39111224H12H3b1511+
MFCD02984577
N#CC(=CNc1cc(ccc1C(=O)OC)C(=O)OC)c1scc(n1)c1ccc(cc1)(N+)(=O)(O)
ZINC000008817838
ZINC08817838
ZINC8817838
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