Vitas-M small molecule compound
ethyl 6'-[(2-butoxy-2-oxoethyl)sulfanyl]-5'-cyano-2'-phenyl-1',4'-dihydro-3,4'-bipyridine-3'-carboxylate
Catalog ID
STL112895
SMILES CCCCOC(=O)CSC1=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 C26H27N3O4S MW 477.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4S/c1-3-5-14-33-21(30)17-34-25-20(15-27)22(19-12-9-13-28-16-19)23(26(31)32-4-2)24(29-25)18-10-7-6-8-11-18/h6-13,16,22,29H,3-5,14,17H2,1-2H3InChIKey
OTQKBKNWPVMJLG-UHFFFAOYSA-NSynonyms
402953-75-7402953757
CCCCOC(=O)CSC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CN=CC=C3)C#N
ethyl6((2butoxy2oxoethyl)sulfanyl)5cyano2phenyl14dihydro34bipyridine3carboxylate
ETHYL6(2BUTOXY2OXOETHYL)SULFANYL5CYANO2PHENYL4PYRIDIN3YL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC26H27N3O4Sc135143321(30)17342520(1527)22(1912913281619)23(26(31)3242)24(2925)18107681118h613162229H351417H212H3
MFCD02712982
ZINC000025515046
ZINC000025515050
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