Vitas-M small molecule compound
2-amino-4-(2-bromo-4,5-diethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL388365
SMILES CCOc1cc(c(cc1OCC)Br)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 C22H25BrN2O4 MW 461.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25BrN2O4/c1-5-27-16-7-12(14(23)8-17(16)28-6-2)19-13(11-24)21(25)29-18-10-22(3,4)9-15(26)20(18)19/h7-8,19H,5-6,9-10,25H2,1-4H3InChIKey
PJZZAHCKLQIWTR-UHFFFAOYSA-NSynonyms
2amino4(2bromo45diethoxyphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(2BROMO45DIETHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
CCOC1=C(C=C(C(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Br)OCC
InChI=1SC22H25BrN2O4c152716712(14(23)817(16)2862)1913(1124)21(25)29181022(34)915(26)20(18)19h7819H5691025H214H3
MFCD04151764
ZINC000004181034
ZINC000004181035
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