Vitas-M small molecule compound
2-amino-1-(3-chloro-2-methylphenyl)-4-(2-chloro-5-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL172858
SMILES N#CC1=C(N)N(C2=C(C1c1cc(ccc1Cl)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1)c1cccc(c1C)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 C29H22Cl2N4O3 MW 545.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22Cl2N4O3/c1-16-22(30)8-5-9-24(16)34-25-12-18(17-6-3-2-4-7-17)13-26(36)28(25)27(21(15-32)29(34)33)20-14-19(35(37)38)10-11-23(20)31/h2-11,14,18,27H,12-13,33H2,1H3InChIKey
MHUFIIFMKGFAPL-UHFFFAOYSA-NSynonyms
514856-19-02amino1(3chloro2methylphenyl)4(2chloro5nitrophenyl)5oxo7phenyl145678hexahydroquinoline3carbonitrile
2amino1(3chloro2methylphenyl)4(2chloro5nitrophenyl)5oxo7phenyl4678tetrahydroquinoline3carbonitrile
514856190
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C(=O)CC(C3)C5=CC=CC=C5
InChI=1SC29H22Cl2N4O3c11622(30)85924(16)34251218(176324717)1326(36)28(25)27(21(1532)29(34)33)201419(35(37)38)101123(20)31h211141827H121333H21H3
MFCD03757950
N#CC1=C(N)N(C2=C(C1c1cc(ccc1Cl)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1)c1cccc(c1C)Cl
ZINC000002090578
ZINC000002090586
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