Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate
Catalog ID
STK506839
SMILES CCOC(=O)C1=C(CSc2nc(C)cc(c2C#N)C)OC(=C(C1c1cccc(c1OC)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/c1-6-34-26(31)22-20(13-36-25-17(11-27)14(2)10-15(3)30-25)35-24(29)18(12-28)21(22)16-8-7-9-19(32-4)23(16)33-5/h7-10,21H,6,13,29H2,1-5H3InChIKey
KKXQDSYSMVMXDH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=C(C(=CC=C2)OC)OC)C#N)N)CSC3=C(C(=CC(=N3)C)C)C#N
ETHYL6AMINO4(23DIMETHOXYPHENYL)5CYANO2((3CYANO46DIMETHYL(2PYRIDYLTHIO))METHYL)4HPYRAN3CARBOXYLATE
ethyl6amino5cyano2(((3cyano46dimethylpyridin2yl)sulfanyl)methyl)4(23dimethoxyphenyl)4Hpyran3carboxylate
ethyl6amino5cyano2((3cyano46dimethylpyridin2yl)sulfanylmethyl)4(23dimethoxyphenyl)4Hpyran3carboxylate
InChI=1SC26H26N4O5Sc163426(31)2220(13362517(1127)14(2)1015(3)3025)3524(29)18(1228)21(22)1687919(324)23(16)335h71021H61329H215H3
MFCD13369015
ZINC000030831825
ZINC000030831827
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