Vitas-M small molecule compound
hexyl 2-{[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate
Catalog ID
STK537673
SMILES CCCCCCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1ccccc1)\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 C25H25N3O2S MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O2S/c1-2-3-4-10-15-30-25(29)21-13-8-9-14-22(21)27-17-20(16-26)24-28-23(18-31-24)19-11-6-5-7-12-19/h5-9,11-14,17-18,27H,2-4,10,15H2,1H3/b20-17+InChIKey
DOFLLYWSVAYFHC-LVZFUZTISA-NSynonyms
(E)hexyl2((2cyano2(4phenylthiazol2yl)vinyl)amino)benzoate
CCCCCCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC=CC=C3
CCCCCCOC(=O)c1ccccc1NC=C(c1scc(n1)c1ccccc1)C#N
hexyl2(((E)2cyano2(4phenyl13thiazol2yl)ethenyl)amino)benzoate
InChI=1SC25H25N3O2Sc123410153025(29)2113891422(21)271720(1626)242823(183124)19116571219h591114171827H241015H21H3b2017+
MFCD02982804
ZINC000009057815
ZINC09057815
ZINC9057815
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