Vitas-M small molecule compound
ethyl 6-amino-4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STK955874
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1cc(COc2ccc(cc2)Br)c(cc1C)C)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 C25H25BrN2O4 MW 497.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN2O4/c1-5-30-25(29)22-16(4)32-24(28)21(12-27)23(22)20-11-17(14(2)10-15(20)3)13-31-19-8-6-18(26)7-9-19/h6-11,23H,5,13,28H2,1-4H3InChIKey
KRDPFWJDDISJOK-UHFFFAOYSA-NSynonyms
438196-81-7438196817
CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2C)C)COC3=CC=C(C=C3)Br)C#N)N)C
ethyl6amino4(5((4bromophenoxy)methyl)24dimethylphenyl)5cyano2methyl4Hpyran3carboxylate
InChI=1SC25H25BrN2O4c153025(29)2216(4)3224(28)21(1227)23(22)201117(14(2)1015(20)3)1331198618(26)7919h61123H51328H214H3
MFCD03073973
ZINC000000648389
ZINC000000648390
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