Vitas-M small molecule compound
ethyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(furan-2-ylcarbonyl)amino]alaninate
Catalog ID
STK764971
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)c1ccco1)Nc1sc2c(c1C#N)CCC(C2)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 C20H20F3N3O4S MW 455.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F3N3O4S/c1-3-29-18(28)19(20(21,22)23,25-16(27)14-5-4-8-30-14)26-17-13(10-24)12-7-6-11(2)9-15(12)31-17/h4-5,8,11,26H,3,6-7,9H2,1-2H3,(H,25,27)InChIKey
JAUPUAFTBVTESZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CC(CC2)C)C#N)NC(=O)C3=CC=CO3
ethyl2((3cyano6methyl4567tetrahydro1benzothiophen2yl)amino)333trifluoro2(furan2carbonylamino)propanoate
ethylN(3cyano6methyl4567tetrahydro1benzothiophen2yl)333trifluoro2((furan2ylcarbonyl)amino)alaninate
InChI=1SC20H20F3N3O4Sc132918(28)19(20(2122)232516(27)145483014)261713(1024)127611(2)915(12)3117h4581126H3679H212H3(H2527)
MFCD02933391
ZINC000002191744
ZINC000002191747
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