Vitas-M small molecule compound

tert-butyl {[3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetate

Catalog ID
STK543507
SMILES COc1ccc(cc1)c1cc(nc(c1C#N)SCC(=O)OC(C)(C)C)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 C23H22N2O3S2 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O3S2/c1-23(2,3)28-21(26)14-30-22-18(13-24)17(15-7-9-16(27-4)10-8-15)12-19(25-22)20-6-5-11-29-20/h5-12H,14H2,1-4H3
InChIKey
YKPUIXLTXHPZAS-UHFFFAOYSA-N
Synonyms
445222-08-2
11DIMETHYLETHYL((3CYANO4(4(METHYLOXY)PHENYL)6THIEN2YLPYRIDIN2YL)SULFANYL)ACETATE
445222082
CC(C)(C)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)OC)C#N
InChI=1SC23H22N2O3S2c123(23)2821(26)14302218(1324)17(157916(274)10815)1219(2522)2065112920h512H14H214H3
MFCD02949124
tertbutyl((3cyano4(4methoxyphenyl)6(thiophen2yl)pyridin2yl)sulfanyl)acetate
tertbutyl2((3cyano4(4methoxyphenyl)6(thiophen2yl)pyridin2yl)thio)acetate
TERTBUTYL2(3CYANO4(4METHOXYPHENYL)6(2THIENYL)2PYRIDYLTHIO)ACETATE
TERTBUTYL2(3CYANO4(4METHOXYPHENYL)6THIOPHEN2YLPYRIDIN2YL)SULFANYLACETATE
ZINC000008448491
ZINC08448491
ZINC8448491

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Available files

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