Vitas-M small molecule compound

ethyl 4-cyano-5-[({[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)amino]-3-methylthiophene-2-carboxylate

Catalog ID
STK547375
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)c1cccs1

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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 C22H15F3N4O3S3 MW 536.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15F3N4O3S3/c1-3-32-21(31)18-11(2)12(8-26)20(35-18)29-17(30)10-34-19-13(9-27)14(22(23,24)25)7-15(28-19)16-5-4-6-33-16/h4-7H,3,10H2,1-2H3,(H,29,30)
InChIKey
XCHPUCKORQXWOG-UHFFFAOYSA-N
Synonyms
445266-12-6
445266126
CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N)C#N)C
ETHYL4CYANO5((((3CYANO6(2THIENYL)4(TRIFLUOROMETHYL)2PYRIDINYL)SULFANYL)ACETYL)AMINO)3METHYL2THIOPHENECARBOXYLATE
ethyl4cyano5((((3cyano6(thiophen2yl)4(trifluoromethyl)pyridin2yl)sulfanyl)acetyl)amino)3methylthiophene2carboxylate
ETHYL4CYANO5((2(3CYANO6THIOPHEN2YL4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYLACETYL)AMINO)3METHYLTHIOPHENE2CARBOXYLATE
ethyl4cyano5(2((3cyano6(thiophen2yl)4(trifluoromethyl)pyridin2yl)thio)acetamido)3methylthiophene2carboxylate
InChI=1SC22H15F3N4O3S3c133221(31)1811(2)12(826)20(3518)2917(30)10341913(927)14(22(2324)25)715(2819)165463316h47H310H212H3(H2930)
MFCD03075668
ZINC000008451011
ZINC8451011

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.