Vitas-M small molecule compound
2-amino-1-(3-chloro-2-methylphenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755210
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CCC2)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 C23H19ClN4O3 MW 434.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN4O3/c1-13-17(24)4-2-5-18(13)27-19-6-3-7-20(29)22(19)21(16(12-25)23(27)26)14-8-10-15(11-9-14)28(30)31/h2,4-5,8-11,21H,3,6-7,26H2,1H3InChIKey
KISMNGKKEOOJAK-UHFFFAOYSA-NSynonyms
2amino1(3chloro2methylphenyl)4(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3chloro2methylphenyl)4(4nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)CCC3
InChI=1SC23H19ClN4O3c11317(24)42518(13)271963720(29)22(19)21(16(1225)23(27)26)1481015(11914)28(30)31h24581121H36726H21H3
MFCD00827499
N#CC1=C(N)N(C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2)c1cccc(c1C)Cl
ZINC000000713488
ZINC000000713490
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