Vitas-M small molecule compound
2-amino-1-(2-chloro-4-nitrophenyl)-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174530
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)COc1c(C)cccc1C)OC)C(=O)CC(C2)(C)C)c1ccc(cc1Cl)[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 C34H33ClN4O5 MW 613.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33ClN4O5/c1-19-7-6-8-20(2)32(19)44-18-22-13-21(9-12-29(22)43-5)30-24(17-36)33(37)38(26-11-10-23(39(41)42)14-25(26)35)27-15-34(3,4)16-28(40)31(27)30/h6-14,30H,15-16,18,37H2,1-5H3InChIKey
DSMKLUBXEJADJU-UHFFFAOYSA-NSynonyms
444934-14-92amino1(2chloro4nitrophenyl)4(3((26dimethylphenoxy)methyl)4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(2CHLORO4NITROPHENYL)4(3((26DIMETHYLPHENOXY)METHYL)4METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
444934149
CC1=C(C(=CC=C1)C)OCC2=C(C=CC(=C2)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=C(C=C(C=C5)(N+)(=O)(O))Cl)N)C#N)OC
InChI=1SC34H33ClN4O5c11976820(2)32(19)4418221321(91229(22)435)3024(1736)33(37)38(26111023(39(41)42)1425(26)35)271534(34)1628(40)31(27)30h61430H15161837H215H3
MFCD02606986
N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)COc1c(C)cccc1C)OC)C(=O)CC(C2)(C)C)c1ccc(cc1Cl)(N+)(=O)(O)
ZINC000008456189
ZINC000008456190
Check stock
See real-time availability and sample size for STL174530 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.