Vitas-M small molecule compound
methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STK961540
SMILES COC(=O)C1=C(C)OC(=C(C1c1ccc(c(c1)COc1cccc(c1)Br)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 C23H21BrN2O5 MW 485.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O5/c1-13-20(23(27)29-3)21(18(11-25)22(26)31-13)14-7-8-19(28-2)15(9-14)12-30-17-6-4-5-16(24)10-17/h4-10,21H,12,26H2,1-3H3InChIKey
PSPWVQBKYAODGE-UHFFFAOYSA-NSynonyms
445240-44-8445240448
CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OC)COC3=CC(=CC=C3)Br)C(=O)OC
InChI=1SC23H21BrN2O5c11320(23(27)293)21(18(1125)22(26)3113)147819(282)15(914)12301764516(24)1017h41021H1226H213H3
methyl6amino4(3((3bromophenoxy)methyl)4methoxyphenyl)5cyano2methyl4Hpyran3carboxylate
MFCD02608922
ZINC000008454621
ZINC000008454622
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