Vitas-M small molecule compound

tert-butyl 4-(4-chlorophenyl)-5-cyano-6-(ethylsulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK725930
SMILES CCSC1=C(C#N)C(C(=C(N1)C)C(=O)OC(C)(C)C)c1ccc(cc1)Cl

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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 C20H23ClN2O2S MW 390.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN2O2S/c1-6-26-18-15(11-22)17(13-7-9-14(21)10-8-13)16(12(2)23-18)19(24)25-20(3,4)5/h7-10,17,23H,6H2,1-5H3
InChIKey
HTBIWHGQMIRGGY-UHFFFAOYSA-N
Synonyms
309732-01-2
309732012
CCSC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl)C#N
InChI=1SC20H23ClN2O2Sc16261815(1122)17(137914(21)10813)16(12(2)2318)19(24)2520(34)5h7101723H6H215H3
MFCD02047725
PYRIDINE3CARBOXYLICACID14DIHYDRO4(4CHLOROPHENYL)5CYANO6ETHYLTHIO2METHYLTERTBUTYLESTER
TERTBUTYL4(4CHLOROPHENYL)5CYANO6(ETHYLSULFANYL)2METHYL14DIHYDRO3PYRIDINECARBOXYLATE
TERTBUTYL4(4CHLOROPHENYL)5CYANO6(ETHYLSULFANYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
tertbutyl4(4chlorophenyl)5cyano6(ethylthio)2methyl14dihydropyridine3carboxylate
TERTBUTYL4(4CHLOROPHENYL)5CYANO6ETHYLSULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
TERTBUTYL4(4CHLOROPHENYL)5CYANO6ETHYLTHIO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000019879939
ZINC000019879941

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Available files

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