Vitas-M small molecule compound
ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-{[(4-methoxyphenyl)carbonyl]amino}alaninate
Catalog ID
STK378001
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCC2)NC(=O)c1ccc(cc1)OC
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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 C22H22F3N3O4S MW 481.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F3N3O4S/c1-3-32-20(30)21(22(23,24)25,27-18(29)13-8-10-14(31-2)11-9-13)28-19-16(12-26)15-6-4-5-7-17(15)33-19/h8-11,28H,3-7H2,1-2H3,(H,27,29)InChIKey
AIWBLHSSFHGDKH-UHFFFAOYSA-NSynonyms
354530-95-3354530953
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C#N)NC(=O)C3=CC=C(C=C3)OC
ethyl2((3cyano4567tetrahydro1benzothiophen2yl)amino)333trifluoro2((4methoxybenzoyl)amino)propanoate
ethyl2((3cyano4567tetrahydrobenzo(b)thiophen2yl)amino)333trifluoro2(4methoxybenzamido)propanoate
ethylN(3cyano4567tetrahydro1benzothiophen2yl)333trifluoro2(((4methoxyphenyl)carbonyl)amino)alaninate
InChI=1SC22H22F3N3O4Sc133220(30)21(22(2324)252718(29)1381014(312)11913)281916(1226)15645717(15)3319h81128H37H212H3(H2729)
MFCD01560945
ZINC000002260913
ZINC000002260914
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