Vitas-M small molecule compound
methyl 2-({(E)-2-cyano-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK537963
SMILES COc1cccc(c1)c1csc(n1)/C(=C/Nc1ccccc1C(=O)OC)/C#N
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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 C21H17N3O3S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O3S/c1-26-16-7-5-6-14(10-16)19-13-28-20(24-19)15(11-22)12-23-18-9-4-3-8-17(18)21(25)27-2/h3-10,12-13,23H,1-2H3/b15-12+InChIKey
XGXCLILTJBDHFF-NTCAYCPXSA-NSynonyms
(E)methyl2((2cyano2(4(3methoxyphenyl)thiazol2yl)vinyl)amino)benzoate
COC1=CC=CC(=C1)C2=CSC(=N2)C(=CNC3=CC=CC=C3C(=O)OC)C#N
COc1cccc(c1)c1csc(n1)C(=CNc1ccccc1C(=O)OC)C#N
InChI=1SC21H17N3O3Sc1261675614(1016)19132820(2419)15(1122)122318943817(18)21(25)272h310121323H12H3b1512+
methyl2(((E)2cyano2(4(3methoxyphenyl)13thiazol2yl)ethenyl)amino)benzoate
MFCD02982639
ZINC000001243674
ZINC01243674
ZINC1243674
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