Vitas-M small molecule compound

ethyl 6-amino-5-cyano-2-{[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]methyl}-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate

Catalog ID
STK748633
SMILES CCOC(=O)C1=C(CSc2nc(CC)c(cc2C#N)C)OC(=C(C1c1ccc(cc1)SC)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 C26H26N4O3S2 MW 506.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S2/c1-5-20-15(3)11-17(12-27)25(30-20)35-14-21-23(26(31)32-6-2)22(19(13-28)24(29)33-21)16-7-9-18(34-4)10-8-16/h7-11,22H,5-6,14,29H2,1-4H3
InChIKey
HWQZDOXYFNCKQZ-UHFFFAOYSA-N
Synonyms

CCC1=C(C=C(C(=N1)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)SC)C(=O)OCC)C#N)C
ethyl6amino5cyano2(((3cyano6ethyl5methylpyridin2yl)sulfanyl)methyl)4(4(methylsulfanyl)phenyl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO6ETHYL5METHYLPYRIDIN2YL)SULFANYLMETHYL)4(4METHYLSULFANYLPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC26H26N4O3S2c152015(3)1117(1227)25(3020)35142123(26(31)3262)22(19(1328)24(29)3321)167918(344)10816h71122H561429H214H3
MFCD00743613
ZINC000008809606
ZINC000008809607

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Available files

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