Vitas-M small molecule compound

ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate

Catalog ID
STK747558
SMILES CCOC(=O)C1=C(CSc2nc(C)cc(c2C#N)C)OC(=C(C1c1ccc(cc1)Cl)C#N)N

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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 C24H21ClN4O3S MW 480.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN4O3S/c1-4-31-24(30)21-19(12-33-23-17(10-26)13(2)9-14(3)29-23)32-22(28)18(11-27)20(21)15-5-7-16(25)8-6-15/h5-9,20H,4,12,28H2,1-3H3
InChIKey
HYCMRLPPLMJIOM-UHFFFAOYSA-N
Synonyms
339163-84-7
339163847
CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)Cl)C#N)N)CSC3=C(C(=CC(=N3)C)C)C#N
ETHYL(4R)6AMINO4(4CHLOROPHENYL)5CYANO2(((3CYANO46DIMETHYLPYRIDIN2YL)SULFANYL)METHYL)4HPYRAN3CARBOXYLATE
ETHYL6AMINO4(4CHLOROPHENYL)5CYANO2(((3CYANO46DIMETHYL2PYRIDINYL)SULFANYL)METHYL)4HPYRAN3CARBOXYLATE
ethyl6amino4(4chlorophenyl)5cyano2(((3cyano46dimethylpyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
ethyl6amino4(4chlorophenyl)5cyano2(((3cyano46dimethylpyridin2yl)thio)methyl)4Hpyran3carboxylate
ETHYL6AMINO4(4CHLOROPHENYL)5CYANO2((3CYANO46DIMETHYLPYRIDIN2YL)SULFANYLMETHYL)4HPYRAN3CARBOXYLATE
InChI=1SC24H21ClN4O3Sc143124(30)2119(12332317(1026)13(2)914(3)2923)3222(28)18(1127)20(21)155716(25)8615h5920H41228H213H3
MFCD00742462
ZINC000001022836
ZINC000001022837

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Available files

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