Vitas-M small molecule compound
methyl 4-{(E)-2-cyano-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl}benzoate
Catalog ID
STK803847
SMILES N#C/C(=C\c1ccc(cc1)C(=O)OC)/c1scc(n1)c1ccc(cc1C)C
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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 C22H18N2O2S MW 374.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O2S/c1-14-4-9-19(15(2)10-14)20-13-27-21(24-20)18(12-23)11-16-5-7-17(8-6-16)22(25)26-3/h4-11,13H,1-3H3/b18-11+InChIKey
YCTAWWIOWUIOQT-WOJGMQOQSA-NSynonyms
CC1=CC(=C(C=C1)C2=CSC(=N2)C(=CC3=CC=C(C=C3)C(=O)OC)C#N)C
InChI=1SC22H18N2O2Sc1144919(15(2)1014)20132721(2420)18(1223)11165717(8616)22(25)263h41113H13H3b1811+
methyl4((E)2cyano2(4(24dimethylphenyl)13thiazol2yl)ethenyl)benzoate
MFCD18169508
N#CC(=Cc1ccc(cc1)C(=O)OC)c1scc(n1)c1ccc(cc1C)C
ZINC000039383882
ZINC39383882
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