Vitas-M small molecule compound
ethyl 6-amino-4-(2-bromophenyl)-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Catalog ID
STK748011
SMILES CCOC(=O)C1=C(CSc2nc(C)c(c(c2C#N)C)C)OC(=C(C1c1ccccc1Br)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 C25H23BrN4O3S MW 539.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN4O3S/c1-5-32-25(31)22-20(12-34-24-17(10-27)14(3)13(2)15(4)30-24)33-23(29)18(11-28)21(22)16-8-6-7-9-19(16)26/h6-9,21H,5,12,29H2,1-4H3InChIKey
RRGXENHXYIFCHE-UHFFFAOYSA-NSynonyms
336180-78-0336180780
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2Br)C#N)N)CSC3=NC(=C(C(=C3C#N)C)C)C
ethyl6amino4(2bromophenyl)5cyano2(((3cyano456trimethylpyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
ethyl6amino4(2bromophenyl)5cyano2(((3cyano456trimethylpyridin2yl)thio)methyl)4Hpyran3carboxylate
ETHYL6AMINO4(2BROMOPHENYL)5CYANO2((3CYANO456TRIMETHYLPYRIDIN2YL)SULFANYLMETHYL)4HPYRAN3CARBOXYLATE
InChI=1SC25H23BrN4O3Sc153225(31)2220(12342417(1027)14(3)13(2)15(4)3024)3323(29)18(1128)21(22)16867919(16)26h6921H51229H214H3
MFCD00742700
ZINC000000705889
ZINC000000705890
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