Vitas-M small molecule compound
4-(3-fluorophenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781180
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccc(c1)F)C(=O)CCC2)c1cc(ccc1C)[N+](=O)[O-]
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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 C27H21FN4O3 MW 468.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21FN4O3/c1-17-10-11-20(32(34)35)15-23(17)31-22-8-5-9-24(33)26(22)25(18-6-4-7-19(28)14-18)21(16-29)27(31)30-12-2-3-13-30/h2-4,6-7,10-15,25H,5,8-9H2,1H3InChIKey
FPQSSQVWZQPCHN-UHFFFAOYSA-NSynonyms
4(3fluorophenyl)1(2methyl5nitrophenyl)5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
4(3fluorophenyl)1(2methyl5nitrophenyl)5oxo2pyrrol1yl4678tetrahydroquinoline3carbonitrile
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CC(=CC=C5)F)C(=O)CCC3
InChI=1SC27H21FN4O3c117101120(32(34)35)1523(17)312285924(33)26(22)25(1864719(28)1418)21(1629)27(31)3012231330h2467101525H589H21H3
MFCD06014447
N#CC1=C(n2cccc2)N(C2=C(C1c1cccc(c1)F)C(=O)CCC2)c1cc(ccc1C)(N+)(=O)(O)
ZINC000001432900
ZINC000001432901
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