Vitas-M small molecule compound
ethyl 2-({(2E)-3-[5-chloro-2-(2-methylpropoxy)phenyl]-2-cyanoprop-2-enoyl}amino)-5-(propan-2-yl)thiophene-3-carboxylate
Catalog ID
STK473569
SMILES CCOC(=O)c1cc(sc1NC(=O)/C(=C/c1cc(Cl)ccc1OCC(C)C)/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 C24H27ClN2O4S MW 475.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27ClN2O4S/c1-6-30-24(29)19-11-21(15(4)5)32-23(19)27-22(28)17(12-26)9-16-10-18(25)7-8-20(16)31-13-14(2)3/h7-11,14-15H,6,13H2,1-5H3,(H,27,28)/b17-9+InChIKey
MHKVAYSMONNNIU-RQZCQDPDSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C(=CC2=C(C=CC(=C2)Cl)OCC(C)C)C#N
CCOC(=O)c1cc(sc1NC(=O)C(=Cc1cc(Cl)ccc1OCC(C)C)C#N)C(C)C
ethyl2(((2E)3(5chloro2(2methylpropoxy)phenyl)2cyanoprop2enoyl)amino)5(propan2yl)thiophene3carboxylate
ethyl2(((E)3(5chloro2(2methylpropoxy)phenyl)2cyanoprop2enoyl)amino)5propan2ylthiophene3carboxylate
InChI=1SC24H27ClN2O4Sc163024(29)191121(15(4)5)3223(19)2722(28)17(1226)9161018(25)7820(16)311314(2)3h7111415H613H215H3(H2728)b179+
MFCD07075381
ZINC000020168612
ZINC20168612
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