Vitas-M small molecule compound
2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174528
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)COc1ccc(cc1)Cl)OC)C(=O)CC(C2)(C)C)c1cc(ccc1C)[N+](=O)[O-]
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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 C33H31ClN4O5 MW 599.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31ClN4O5/c1-19-5-9-23(38(40)41)14-26(19)37-27-15-33(2,3)16-28(39)31(27)30(25(17-35)32(37)36)20-6-12-29(42-4)21(13-20)18-43-24-10-7-22(34)8-11-24/h5-14,30H,15-16,18,36H2,1-4H3InChIKey
ZGSUWEREUMYBPA-UHFFFAOYSA-NSynonyms
444927-59-72amino4(3((4chlorophenoxy)methyl)4methoxyphenyl)77dimethyl1(2methyl5nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(3((4CHLOROPHENOXY)METHYL)4METHOXYPHENYL)77DIMETHYL1(2METHYL5NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
444927597
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4)OC)COC5=CC=C(C=C5)Cl)C(=O)CC(C3)(C)C
InChI=1SC33H31ClN4O5c1195923(38(40)41)1426(19)37271533(23)1628(39)31(27)30(25(1735)32(37)36)2061229(424)21(1320)18432410722(34)81124h51430H15161836H214H3
MFCD02606440
N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)COc1ccc(cc1)Cl)OC)C(=O)CC(C2)(C)C)c1cc(ccc1C)(N+)(=O)(O)
ZINC000002089885
ZINC000002089886
Check stock
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Check stock on Vitas-MAvailable files
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