Vitas-M small molecule compound
2-amino-4-[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL379698
SMILES C=CCOc1c(Br)cc(cc1OC)C1C(=C(N)OC2=C1C(=O)CCC2)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 C20H19BrN2O4 MW 431.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O4/c1-3-7-26-19-13(21)8-11(9-16(19)25-2)17-12(10-22)20(23)27-15-6-4-5-14(24)18(15)17/h3,8-9,17H,1,4-7,23H2,2H3InChIKey
JYEORTUPOMISHI-UHFFFAOYSA-NSynonyms
2amino4(3bromo5methoxy4(prop2en1yloxy)phenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(3bromo5methoxy4prop2enoxyphenyl)5oxo4678tetrahydrochromene3carbonitrile
COC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC=C
InChI=1SC20H19BrN2O4c137261913(21)811(916(19)252)1712(1022)20(23)271564514(24)18(15)17h38917H14723H22H3
MFCD04091246
ZINC000002163688
ZINC000002163690
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