Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate
Catalog ID
STK669451
SMILES CCOC(=O)C1=C(CSc2nc(C)c(c(c2C#N)C)C)OC(=C(C1c1ccccc1)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 C25H24N4O3S MW 460.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O3S/c1-5-31-25(30)22-20(13-33-24-18(11-26)15(3)14(2)16(4)29-24)32-23(28)19(12-27)21(22)17-9-7-6-8-10-17/h6-10,21H,5,13,28H2,1-4H3InChIKey
KHMTURAFFJCDPR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=NC(=C(C(=C3C#N)C)C)C
ethyl6amino5cyano2(((3cyano456trimethylpyridin2yl)sulfanyl)methyl)4phenyl4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO456TRIMETHYLPYRIDIN2YL)SULFANYLMETHYL)4PHENYL4HPYRAN3CARBOXYLATE
InChI=1SC25H24N4O3Sc153125(30)2220(13332418(1126)15(3)14(2)16(4)2924)3223(28)19(1227)21(22)1797681017h61021H51328H214H3
MFCD00743601
ZINC000000705912
ZINC000000705913
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