Vitas-M small molecule compound
ethyl 2-{[(E)-2-cyano-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}ethenyl]amino}benzoate
Catalog ID
STK803716
SMILES CCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1ccc(cc1)CC(C)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 C25H25N3O2S MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O2S/c1-4-30-25(29)21-7-5-6-8-22(21)27-15-20(14-26)24-28-23(16-31-24)19-11-9-18(10-12-19)13-17(2)3/h5-12,15-17,27H,4,13H2,1-3H3/b20-15+InChIKey
XPWTZCCEGPDUAY-HMMYKYKNSA-NSynonyms
477296-52-9(E)ethyl2((2cyano2(4(4isobutylphenyl)thiazol2yl)vinyl)amino)benzoate
477296529
CCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)CC(C)C
CCOC(=O)c1ccccc1NC=C(c1scc(n1)c1ccc(cc1)CC(C)C)C#N
ethyl2(((E)2cyano2(4(4(2methylpropyl)phenyl)13thiazol2yl)ethenyl)amino)benzoate
InChI=1SC25H25N3O2Sc143025(29)21756822(21)271520(1426)242823(163124)1911918(101219)1317(2)3h512151727H413H213H3b2015+
MFCD03669977
ZINC000009075301
ZINC09075301
ZINC9075301
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