Vitas-M small molecule compound

ethyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoro-2-(propanoylamino)alaninate

Catalog ID
STK527656
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCCC2)NC(=O)CC

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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 C18H22F3N3O3S MW 417.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22F3N3O3S/c1-3-14(25)23-17(18(19,20)21,16(26)27-4-2)24-15-12(10-22)11-8-6-5-7-9-13(11)28-15/h24H,3-9H2,1-2H3,(H,23,25)
InChIKey
ZGAOCDGBNVPUBL-UHFFFAOYSA-N
Synonyms
352317-67-0
352317670
CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=C(C2=C(S1)CCCCC2)C#N
ethyl2((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)333trifluoro2(propanoylamino)propanoate
ethyl2((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)333trifluoro2propionamidopropanoate
ethylN(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)333trifluoro2(propanoylamino)alaninate
InChI=1SC18H22F3N3O3Sc1314(25)2317(18(1920)2116(26)2742)241512(1022)118657913(11)2815h24H39H212H3(H2325)
MFCD01951020
ZINC000004452539
ZINC000004452540

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Available files

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