Vitas-M small molecule compound
2-amino-4-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK316277
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)COc1ccc(c(c1)C)Cl)OC)C(=O)CCC2)c1ccccc1[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 C31H27ClN4O5 MW 571.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClN4O5/c1-18-14-21(11-12-23(18)32)41-17-20-15-19(10-13-28(20)40-2)29-22(16-33)31(34)35(26-8-5-9-27(37)30(26)29)24-6-3-4-7-25(24)36(38)39/h3-4,6-7,10-15,29H,5,8-9,17,34H2,1-2H3InChIKey
KNKVXCZDGRTDTM-UHFFFAOYSA-NSynonyms
514839-53-32amino4(3((4chloro3methylphenoxy)methyl)4methoxyphenyl)1(2nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(3((4chloro3methylphenoxy)methyl)4methoxyphenyl)1(2nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
514839533
CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3C(=C(N(C4=C3C(=O)CCC4)C5=CC=CC=C5(N+)(=O)(O))N)C#N)OC)Cl
InChI=1SC31H27ClN4O5c1181421(111223(18)32)4117201519(101328(20)402)2922(1633)31(34)35(2685927(37)30(26)29)24634725(24)36(38)39h3467101529H5891734H212H3
MFCD03757673
N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)COc1ccc(c(c1)C)Cl)OC)C(=O)CCC2)c1ccccc1(N+)(=O)(O)
ZINC000008456041
ZINC000008456042
Check stock
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Check stock on Vitas-MAvailable files
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