Vitas-M small molecule compound
propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate
Catalog ID
STK748798
SMILES N#CC1=C(N)OC(=C(C1c1ccccc1)C(=O)OC(C)C)CSc1nc(C)c(c(c1C#N)C)C
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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 C26H26N4O3S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S/c1-14(2)32-26(31)23-21(13-34-25-19(11-27)16(4)15(3)17(5)30-25)33-24(29)20(12-28)22(23)18-9-7-6-8-10-18/h6-10,14,22H,13,29H2,1-5H3InChIKey
COIOZQOOOWTTIW-UHFFFAOYSA-NSynonyms
316358-14-2316358142
CC1=C(N=C(C(=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3)C(=O)OC(C)C)C
InChI=1SC26H26N4O3Sc114(2)3226(31)2321(13342519(1127)16(4)15(3)17(5)3025)3324(29)20(1228)22(23)1897681018h6101422H1329H215H3
isopropyl6amino5cyano2(((3cyano456trimethylpyridin2yl)thio)methyl)4phenyl4Hpyran3carboxylate
MFCD00743878
propan2yl6amino5cyano2(((3cyano456trimethylpyridin2yl)sulfanyl)methyl)4phenyl4Hpyran3carboxylate
PROPAN2YL6AMINO5CYANO2((3CYANO456TRIMETHYLPYRIDIN2YL)SULFANYLMETHYL)4PHENYL4HPYRAN3CARBOXYLATE
ZINC000001052106
ZINC000001052109
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