Vitas-M small molecule compound
2-amino-4-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL388361
SMILES C#CCOc1c(Br)cc(cc1OC)C1C(=C(N)OC2=C1C(=O)CC(C2)(C)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 C22H21BrN2O4 MW 457.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O4/c1-5-6-28-20-14(23)7-12(8-16(20)27-4)18-13(11-24)21(25)29-17-10-22(2,3)9-15(26)19(17)18/h1,7-8,18H,6,9-10,25H2,2-4H3InChIKey
JQFXMYUGYCRDIV-UHFFFAOYSA-NSynonyms
2amino4(3bromo5methoxy4(prop2yn1yloxy)phenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(3BROMO5METHOXY4PROP2YNOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)Br)OCC#C)OC)C(=O)C1)C
InChI=1SC22H21BrN2O4c156282014(23)712(816(20)274)1813(1124)21(25)29171022(23)915(26)19(17)18h17818H691025H224H3
MFCD04151775
ZINC000002163781
ZINC000002163783
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