Vitas-M small molecule compound
ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(furan-2-ylcarbonyl)amino]alaninate
Catalog ID
STK761435
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCC2)NC(=O)c1ccco1
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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 C19H18F3N3O4S MW 441.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F3N3O4S/c1-2-28-17(27)18(19(20,21)22,24-15(26)13-7-5-9-29-13)25-16-12(10-23)11-6-3-4-8-14(11)30-16/h5,7,9,25H,2-4,6,8H2,1H3,(H,24,26)InChIKey
RMHPGWUWSKEMFO-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C#N)NC(=O)C3=CC=CO3
ethyl2((3cyano4567tetrahydro1benzothiophen2yl)amino)333trifluoro2(furan2carbonylamino)propanoate
ethylN(3cyano4567tetrahydro1benzothiophen2yl)333trifluoro2((furan2ylcarbonyl)amino)alaninate
InChI=1SC19H18F3N3O4Sc122817(27)18(19(2021)222415(26)137592913)251612(1023)11634814(11)3016h57925H2468H21H3(H2426)
MFCD01926305
ZINC000003669994
ZINC000003669995
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