Vitas-M small molecule compound
2-amino-1-(4-chloro-3-nitrophenyl)-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174369
SMILES N#CC1=C(N)N(c2ccc(c(c2)[N+](=O)[O-])Cl)C2=C(C1c1ccccc1C(F)(F)F)C(=O)CC(C2)c1ccccc1
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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 C29H20ClF3N4O3 MW 564.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20ClF3N4O3/c30-22-11-10-18(14-23(22)37(39)40)36-24-12-17(16-6-2-1-3-7-16)13-25(38)27(24)26(20(15-34)28(36)35)19-8-4-5-9-21(19)29(31,32)33/h1-11,14,17,26H,12-13,35H2InChIKey
GZAYSHJIBWLPTO-UHFFFAOYSA-NSynonyms
476483-54-22amino1(4chloro3nitrophenyl)5oxo7phenyl4(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino1(4chloro3nitrophenyl)5oxo7phenyl4(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
476483542
C1C(CC(=O)C2=C1N(C(=C(C2C3=CC=CC=C3C(F)(F)F)C#N)N)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C5=CC=CC=C5
InChI=1SC29H20ClF3N4O3c3022111018(1423(22)37(39)40)36241217(166213716)1325(38)27(24)26(20(1534)28(36)35)19845921(19)29(3132)33h111141726H121335H2
MFCD02606867
N#CC1=C(N)N(c2ccc(c(c2)(N+)(=O)(O))Cl)C2=C(C1c1ccccc1C(F)(F)F)C(=O)CC(C2)c1ccccc1
ZINC000002597427
ZINC000002762098
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