Vitas-M small molecule compound
1-(3-chloro-4-fluorophenyl)-4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781190
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccc(c1)F)C(=O)CCC2)c1ccc(c(c1)Cl)F
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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 C26H18ClF2N3O MW 461.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClF2N3O/c27-20-14-18(9-10-21(20)29)32-22-7-4-8-23(33)25(22)24(16-5-3-6-17(28)13-16)19(15-30)26(32)31-11-1-2-12-31/h1-3,5-6,9-14,24H,4,7-8H2InChIKey
WFLXGUYZIQVEDG-UHFFFAOYSA-NSynonyms
1(3chloro4fluorophenyl)4(3fluorophenyl)5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
1(3chloro4fluorophenyl)4(3fluorophenyl)5oxo2pyrrol1yl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC(=C(C=C3)F)Cl)N4C=CC=C4)C#N)C5=CC(=CC=C5)F)C(=O)C1
InChI=1SC26H18ClF2N3Oc27201418(91021(20)29)322274823(33)25(22)24(1653617(28)1316)19(1530)26(32)3111121231h135691424H478H2
MFCD06014468
ZINC000001432929
ZINC000001432930
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