Vitas-M small molecule compound

methyl 5'-cyano-2'-methyl-6'-(methylsulfanyl)-1',4'-dihydro-3,4'-bipyridine-3'-carboxylate

Catalog ID
STK787181
SMILES COC(=O)C1=C(C)NC(=C(C1c1cccnc1)C#N)SC

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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 C15H15N3O2S MW 301.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O2S/c1-9-12(15(19)20-2)13(10-5-4-6-17-8-10)11(7-16)14(18-9)21-3/h4-6,8,13,18H,1-3H3
InChIKey
JPNZTQUHKOHNTM-UHFFFAOYSA-N
Synonyms
109629-10-9
109629109
CC1=C(C(C(=C(N1)SC)C#N)C2=CN=CC=C2)C(=O)OC
InChI=1SC15H15N3O2Sc1912(15(19)202)13(1054617810)11(716)14(189)213h4681318H13H3
methyl5cyano2methyl6(methylsulfanyl)14dihydro34bipyridine3carboxylate
methyl5cyano2methyl6(methylthio)14dihydro(34bipyridine)3carboxylate
methyl5cyano2methyl6methylsulfanyl4pyridin3yl14dihydropyridine3carboxylate
MFCD08560263
ZINC000020591930
ZINC000020591932

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Available files

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