Vitas-M small molecule compound
methyl 4-{(E)-2-cyano-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl}benzoate
Catalog ID
STK803846
SMILES N#C/C(=C\c1ccc(cc1)C(=O)OC)/c1scc(n1)c1ccc(c(c1)C)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/c1-14-4-7-18(10-15(14)2)20-13-27-21(24-20)19(12-23)11-16-5-8-17(9-6-16)22(25)26-3/h4-11,13H,1-3H3/b19-11+InChIKey
SYWXACXGYUWPSF-YBFXNURJSA-NSynonyms
CC1=C(C=C(C=C1)C2=CSC(=N2)C(=CC3=CC=C(C=C3)C(=O)OC)C#N)C
InChI=1SC22H18N2O2Sc1144718(1015(14)2)20132721(2420)19(1223)11165817(9616)22(25)263h41113H13H3b1911+
methyl4((E)2cyano2(4(34dimethylphenyl)13thiazol2yl)ethenyl)benzoate
MFCD18169507
N#CC(=Cc1ccc(cc1)C(=O)OC)c1scc(n1)c1ccc(c(c1)C)C
ZINC000039383881
ZINC39383881
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