Vitas-M small molecule compound

1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STL058926
SMILES N#CC1(C#N)C(c2ccc(cc2)C(F)(F)F)C(N2C1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3

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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 C32H28F3N3O MW 527.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28F3N3O/c33-32(34,35)24-8-5-23(6-9-24)27-28(29(39)30-14-19-11-20(15-30)13-21(12-19)16-30)38-25-4-2-1-3-22(25)7-10-26(38)31(27,17-36)18-37/h1-10,19-21,26-28H,11-16H2
InChIKey
FRPPLAWOEPCRGN-UHFFFAOYSA-N
Synonyms

(1S2S3aR)1((3S5S7S)adamantane1carbonyl)2(4(trifluoromethyl)phenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1(ADAMANTANE1CARBONYL)2(4(TRIFLUOROMETHYL)PHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
1(tricyclo(3311~37~)dec1ylcarbonyl)2(4(trifluoromethyl)phenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(C5N4C6=CC=CC=C6C=C5)(C#N)C#N)C7=CC=C(C=C7)C(F)(F)F
InChI=1SC32H28F3N3Oc3332(3435)248523(6924)2728(29(39)3014191120(1530)1321(1219)1630)3825421322(25)71026(38)31(271736)1837h11019212628H1116H2
MFCD18193130
N#CC1(C#N)(C@H)(c2ccc(cc2)C(F)(F)F)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000016034280
ZINC000106022381

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Available files

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