Vitas-M small molecule compound
2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-(4-chloro-2-nitrophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174870
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)COc1ccc(cc1)Br)OC)C(=O)CC(C2)(C)C)c1ccc(cc1[N+](=O)[O-])Cl
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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 C32H28BrClN4O5 MW 663.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28BrClN4O5/c1-32(2)14-26-30(27(39)15-32)29(23(16-35)31(36)37(26)24-10-7-21(34)13-25(24)38(40)41)18-4-11-28(42-3)19(12-18)17-43-22-8-5-20(33)6-9-22/h4-13,29H,14-15,17,36H2,1-3H3InChIKey
BJEHRSKOMNIVNU-UHFFFAOYSA-NSynonyms
444930-57-82amino4(3((4bromophenoxy)methyl)4methoxyphenyl)1(4chloro2nitrophenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(3((4BROMOPHENOXY)METHYL)4METHOXYPHENYL)1(4CHLORO2NITROPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
444930578
CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Cl)(N+)(=O)(O))N)C#N)C4=CC(=C(C=C4)OC)COC5=CC=C(C=C5)Br)C(=O)C1)C
InChI=1SC32H28BrClN4O5c132(2)142630(27(39)1532)29(23(1635)31(36)37(26)2410721(34)1325(24)38(40)41)1841128(423)19(1218)1743228520(33)6922h41329H14151736H213H3
MFCD03071091
N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)COc1ccc(cc1)Br)OC)C(=O)CC(C2)(C)C)c1ccc(cc1(N+)(=O)(O))Cl
ZINC000008456077
ZINC000008456078
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.