Vitas-M small molecule compound

ethyl 4-({(E)-2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate

Catalog ID
STK878489
SMILES CCOC(=O)c1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1)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 C22H19N3O3S MW 405.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O3S/c1-3-28-22(26)16-4-8-18(9-5-16)24-13-17(12-23)21-25-20(14-29-21)15-6-10-19(27-2)11-7-15/h4-11,13-14,24H,3H2,1-2H3/b17-13+
InChIKey
QWJKKXRZSYSGPW-GHRIWEEISA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)OC
CCOC(=O)c1ccc(cc1)NC=C(c1scc(n1)c1ccc(cc1)OC)C#N
ethyl4(((E)2cyano2(4(4methoxyphenyl)13thiazol2yl)ethenyl)amino)benzoate
InChI=1SC22H19N3O3Sc132822(26)164818(9516)241317(1223)212520(142921)1561019(272)11715h411131424H3H212H3b1713+
MFCD18170327
ZINC000002157997
ZINC2157997

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.