Vitas-M small molecule compound
ethyl 2-{[(2E)-2-cyano-3-(2-{[3-(trifluoromethyl)benzyl]oxy}phenyl)prop-2-enoyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate
Catalog ID
STK473594
SMILES CCOC(=O)c1cc(sc1NC(=O)/C(=C/c1ccccc1OCc1cccc(c1)C(F)(F)F)/C#N)C(C)C
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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 C28H25F3N2O4S MW 542.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25F3N2O4S/c1-4-36-27(35)22-14-24(17(2)3)38-26(22)33-25(34)20(15-32)13-19-9-5-6-11-23(19)37-16-18-8-7-10-21(12-18)28(29,30)31/h5-14,17H,4,16H2,1-3H3,(H,33,34)/b20-13+InChIKey
KNAYZNTYGPJMCP-DEDYPNTBSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C(=CC2=CC=CC=C2OCC3=CC(=CC=C3)C(F)(F)F)C#N
CCOC(=O)c1cc(sc1NC(=O)C(=Cc1ccccc1OCc1cccc(c1)C(F)(F)F)C#N)C(C)C
ethyl2(((2E)2cyano3(2((3(trifluoromethyl)benzyl)oxy)phenyl)prop2enoyl)amino)5(propan2yl)thiophene3carboxylate
ethyl2(((E)2cyano3(2((3(trifluoromethyl)phenyl)methoxy)phenyl)prop2enoyl)amino)5propan2ylthiophene3carboxylate
ETHYL2((2E)2CYANO3(2((3(TRIFLUOROMETHYL)PHENYL)METHOXY)PHENYL)PROP2ENOYLAMINO)5(METHYLETHYL)THIOPHENE3CARBOXYLATE
InChI=1SC28H25F3N2O4Sc143627(35)221424(17(2)3)3826(22)3325(34)20(1532)13199561123(19)371618871021(1218)28(2930)31h51417H416H213H3(H3334)b2013+
MFCD07093615
ZINC000097965827
ZINC97965827
Check stock
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Check stock on Vitas-MAvailable files
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