Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)methyl]sulfanyl}-4-(3,4-dimethoxyphenyl)-4H-pyran-3-carboxylate
Catalog ID
STK788625
SMILES CCOC(=O)C1=C(SCc2nc(C)cc(c2C#N)C)OC(=C(C1c1ccc(c(c1)OC)OC)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 C26H26N4O5S MW 506.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O5S/c1-6-34-25(31)23-22(16-7-8-20(32-4)21(10-16)33-5)18(12-28)24(29)35-26(23)36-13-19-17(11-27)14(2)9-15(3)30-19/h7-10,22H,6,13,29H2,1-5H3InChIKey
NLIIQHZPNGOUJV-UHFFFAOYSA-NSynonyms
370577-03-0370577030
CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OC)OC)C#N)N)SCC3=C(C(=CC(=N3)C)C)C#N
ethyl6amino5cyano2(((3cyano46dimethylpyridin2yl)methyl)sulfanyl)4(34dimethoxyphenyl)4Hpyran3carboxylate
ethyl6amino5cyano2(((3cyano46dimethylpyridin2yl)methyl)thio)4(34dimethoxyphenyl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO46DIMETHYLPYRIDIN2YL)METHYLSULFANYL)4(34DIMETHOXYPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC26H26N4O5Sc163425(31)2322(167820(324)21(1016)335)18(1228)24(29)3526(23)36131917(1127)14(2)915(3)3019h71022H61329H215H3
MFCD03011325
ZINC000009086421
ZINC000009086422
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