Vitas-M small molecule compound
2-amino-4-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL388363
SMILES C#CCOc1c(Br)cc(cc1OCC)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 C23H23BrN2O4 MW 471.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN2O4/c1-5-7-29-21-15(24)8-13(9-17(21)28-6-2)19-14(12-25)22(26)30-18-11-23(3,4)10-16(27)20(18)19/h1,8-9,19H,6-7,10-11,26H2,2-4H3InChIKey
MYXOBKARGJHRHQ-UHFFFAOYSA-NSynonyms
2amino4(3bromo5ethoxy4(prop2yn1yloxy)phenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(3BROMO5ETHOXY4PROP2YNOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Br)OCC#C
InChI=1SC23H23BrN2O4c157292115(24)813(917(21)2862)1914(1225)22(26)30181123(34)1016(27)20(18)19h18919H67101126H224H3
MFCD04151772
ZINC000002163777
ZINC000002163779
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