Vitas-M small molecule compound

1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK783250
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccc(c1)C(F)(F)F)C(=O)CCC2)c1ccc(cc1[N+](=O)[O-])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 C28H21F3N4O3 MW 518.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21F3N4O3/c1-17-10-11-21(23(14-17)35(37)38)34-22-8-5-9-24(36)26(22)25(18-6-4-7-19(15-18)28(29,30)31)20(16-32)27(34)33-12-2-3-13-33/h2-4,6-7,10-15,25H,5,8-9H2,1H3
InChIKey
XFYUCPBAUGFHDM-UHFFFAOYSA-N
Synonyms

1(4methyl2nitrophenyl)5oxo2(1Hpyrrol1yl)4(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
1(4methyl2nitrophenyl)5oxo2pyrrol1yl4(3(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
CC1=CC(=C(C=C1)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CC(=CC=C5)C(F)(F)F)C(=O)CCC3)(N+)(=O)(O)
InChI=1SC28H21F3N4O3c117101121(23(1417)35(37)38)342285924(36)26(22)25(1864719(1518)28(2930)31)20(1632)27(34)3312231333h2467101525H589H21H3
MFCD06617924
N#CC1=C(n2cccc2)N(C2=C(C1c1cccc(c1)C(F)(F)F)C(=O)CCC2)c1ccc(cc1(N+)(=O)(O))C
ZINC000012447348
ZINC000012447350

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Available files

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