Vitas-M small molecule compound

ethyl 5'-cyano-2'-phenyl-6'-(propylsulfanyl)-1',4'-dihydro-3,4'-bipyridine-3'-carboxylate

Catalog ID
STK709568
SMILES CCCSC1=C(C#N)C(C(=C(N1)c1ccccc1)C(=O)OCC)c1cccnc1

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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 C23H23N3O2S MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O2S/c1-3-13-29-22-18(14-24)19(17-11-8-12-25-15-17)20(23(27)28-4-2)21(26-22)16-9-6-5-7-10-16/h5-12,15,19,26H,3-4,13H2,1-2H3
InChIKey
KSLIBBHFZJYHCI-UHFFFAOYSA-N
Synonyms

CCCSC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CN=CC=C3)C#N
ethyl5cyano2phenyl6(propylsulfanyl)14dihydro34bipyridine3carboxylate
ETHYL5CYANO2PHENYL6(PROPYLTHIO)14DIHYDRO34BIPYRIDINE3CARBOXYLATE
ETHYL5CYANO2PHENYL6PROPYLSULFANYL4PYRIDIN3YL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC23H23N3O2Sc1313292218(1424)19(1711812251517)20(23(27)2842)21(2622)1696571016h512151926H3413H212H3
MFCD03036278
ZINC000019848075
ZINC000019848077

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Available files

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