Vitas-M small molecule compound
ethyl 6-amino-4-[4-(benzyloxy)phenyl]-5-cyano-2-{[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Catalog ID
STK669455
SMILES CCOC(=O)C1=C(CSc2nc(CC)c(cc2C#N)C)OC(=C(C1c1ccc(cc1)OCc1ccccc1)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 C32H30N4O4S MW 566.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4O4S/c1-4-26-20(3)15-23(16-33)31(36-26)41-19-27-29(32(37)38-5-2)28(25(17-34)30(35)40-27)22-11-13-24(14-12-22)39-18-21-9-7-6-8-10-21/h6-15,28H,4-5,18-19,35H2,1-3H3InChIKey
KEISCAQBMSQGCP-UHFFFAOYSA-NSynonyms
CCC1=C(C=C(C(=N1)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC)C#N)C
ethyl6amino4(4(benzyloxy)phenyl)5cyano2(((3cyano6ethyl5methylpyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
ethyl6amino4(4(benzyloxy)phenyl)5cyano2(((3cyano6ethyl5methylpyridin2yl)thio)methyl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO6ETHYL5METHYLPYRIDIN2YL)SULFANYLMETHYL)4(4PHENYLMETHOXYPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC32H30N4O4Sc142620(3)1523(1633)31(3626)41192729(32(37)3852)28(25(1734)30(35)4027)22111324(141222)39182197681021h61528H45181935H213H3
MFCD00743616
ZINC000053333255
ZINC000053333262
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