Vitas-M small molecule compound
dimethyl 5-{(E)-2-cyano-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethenyl}benzene-1,3-dicarboxylate
Catalog ID
STK898930
SMILES N#C/C(=C\c1cc(cc(c1)C(=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 C24H20N2O4S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O4S/c1-4-15-5-7-17(8-6-15)21-14-31-22(26-21)20(13-25)11-16-9-18(23(27)29-2)12-19(10-16)24(28)30-3/h5-12,14H,4H2,1-3H3/b20-11+InChIKey
KOXXEENZNHLHIK-RGVLZGJSSA-NSynonyms
CCC1=CC=C(C=C1)C2=CSC(=N2)C(=CC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C#N
dimethyl5((E)2cyano2(4(4ethylphenyl)13thiazol2yl)ethenyl)benzene13dicarboxylate
InChI=1SC24H20N2O4Sc14155717(8615)21143122(2621)20(1325)1116918(23(27)292)1219(1016)24(28)303h51214H4H213H3b2011+
MFCD18173201
N#CC(=Cc1cc(cc(c1)C(=O)OC)C(=O)OC)c1scc(n1)c1ccc(cc1)CC
ZINC000044835394
ZINC44835394
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