Vitas-M small molecule compound
dimethyl 2-({(E)-2-cyano-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzene-1,4-dicarboxylate
Catalog ID
STK536782
SMILES N#C/C(=C\Nc1cc(ccc1C(=O)OC)C(=O)OC)/c1scc(n1)c1ccc(cc1)CC
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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 C24H21N3O4S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4S/c1-4-15-5-7-16(8-6-15)21-14-32-22(27-21)18(12-25)13-26-20-11-17(23(28)30-2)9-10-19(20)24(29)31-3/h5-11,13-14,26H,4H2,1-3H3/b18-13+InChIKey
HGQVLVGOHVLVBP-QGOAFFKASA-NSynonyms
(E)dimethyl2((2cyano2(4(4ethylphenyl)thiazol2yl)vinyl)amino)terephthalate
14DIMETHYL2(((1E)2CYANO2(4(4ETHYLPHENYL)13THIAZOL2YL)ETH1EN1YL)AMINO)BENZENE14DICARBOXYLATE
CCC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=C(C=CC(=C3)C(=O)OC)C(=O)OC)C#N
dimethyl2(((E)2cyano2(4(4ethylphenyl)13thiazol2yl)ethenyl)amino)benzene14dicarboxylate
InChI=1SC24H21N3O4Sc14155716(8615)21143222(2721)18(1225)1326201117(23(28)302)91019(20)24(29)313h511131426H4H213H3b1813+
MFCD02982544
N#CC(=CNc1cc(ccc1C(=O)OC)C(=O)OC)c1scc(n1)c1ccc(cc1)CC
ZINC000001244831
ZINC01244831
ZINC1244831
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