Vitas-M small molecule compound
butyl 4-{[(Z)-2-{4-[4-(acetyloxy)phenyl]-1,3-thiazol-2-yl}-2-cyanoethenyl]amino}benzoate
Catalog ID
STK878559
SMILES CCCCOC(=O)c1ccc(cc1)N/C=C(\c1scc(n1)c1ccc(cc1)OC(=O)C)/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 C25H23N3O4S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4S/c1-3-4-13-31-25(30)19-5-9-21(10-6-19)27-15-20(14-26)24-28-23(16-33-24)18-7-11-22(12-8-18)32-17(2)29/h5-12,15-16,27H,3-4,13H2,1-2H3/b20-15-InChIKey
QJJYRJWIKPPIPN-HKWRFOASSA-NSynonyms
butyl4(((Z)2(4(4(acetyloxy)phenyl)13thiazol2yl)2cyanoethenyl)amino)benzoate
butyl4(((Z)2(4(4acetyloxyphenyl)13thiazol2yl)2cyanoethenyl)amino)benzoate
CCCCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)OC(=O)C
CCCCOC(=O)c1ccc(cc1)NC=C(c1scc(n1)c1ccc(cc1)OC(=O)C)C#N
InChI=1SC25H23N3O4Sc134133125(30)195921(10619)271520(1426)242823(163324)1871122(12818)3217(2)29h512151627H3413H212H3b2015
MFCD18170346
ZINC000040476987
ZINC40476987
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