Vitas-M small molecule compound
ethyl 6-amino-4-[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STL416754
SMILES C=CCOc1c(Br)cc(cc1OC)C1C(=C(N)OC(=C1C(=O)OCC)C)C#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 C20H21BrN2O5 MW 449.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN2O5/c1-5-7-27-18-14(21)8-12(9-15(18)25-4)17-13(10-22)19(23)28-11(3)16(17)20(24)26-6-2/h5,8-9,17H,1,6-7,23H2,2-4H3InChIKey
PAMKSMJPSFSOSD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C(=C2)Br)OCC=C)OC)C#N)N)C
ETHYL4(4(ALLYLOXY)3BROMO5METHOXYPHENYL)6AMINO5CYANO2METHYL4HPYRAN3CARBOXYLATE
ethyl6amino4(3bromo5methoxy4(prop2en1yloxy)phenyl)5cyano2methyl4Hpyran3carboxylate
ETHYL6AMINO4(3BROMO5METHOXY4PROP2ENOXYPHENYL)5CYANO2METHYL4HPYRAN3CARBOXYLATE
InChI=1SC20H21BrN2O5c157271814(21)812(915(18)254)1713(1022)19(23)2811(3)16(17)20(24)2662h58917H16723H224H3
MFCD04151853
ZINC000002179313
ZINC000002179314
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