Vitas-M small molecule compound
2-amino-4-(2-chlorophenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL055227
SMILES N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccccc1Cl)C(=O)CC(C2)(C)C
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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 C24H21ClN4O3 MW 448.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN4O3/c1-24(2)11-19-22(20(30)12-24)21(16-8-3-4-9-18(16)25)17(13-26)23(27)28(19)14-6-5-7-15(10-14)29(31)32/h3-10,21H,11-12,27H2,1-2H3InChIKey
UGBKMEIYEUTXHQ-UHFFFAOYSA-NSynonyms
713129-70-52amino4(2chlorophenyl)77dimethyl1(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(2CHLOROPHENYL)77DIMETHYL1(3NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
713129705
CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CC=CC=C4Cl)C(=O)C1)C
InChI=1SC24H21ClN4O3c124(2)111922(20(30)1224)21(16834918(16)25)17(1326)23(27)28(19)1465715(1014)29(31)32h31021H111227H212H3
MFCD03680695
N#CC1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1ccccc1Cl)C(=O)CC(C2)(C)C
ZINC000009245420
ZINC000009245422
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