Vitas-M small molecule compound
(1S,2R,3aR)-2-(2,4-dichlorophenyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK667965
SMILES N#CC1(C#N)[C@H]2C=Cc3c(N2[C@@H]([C@H]1c1ccc(cc1Cl)Cl)C(=O)C12CC4CC(C2)CC(C1)C4)cccc3
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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 C31H27Cl2N3O MW 528.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27Cl2N3O/c32-22-6-7-23(24(33)12-22)27-28(29(37)30-13-18-9-19(14-30)11-20(10-18)15-30)36-25-4-2-1-3-21(25)5-8-26(36)31(27,16-34)17-35/h1-8,12,18-20,26-28H,9-11,13-15H2/t18?,19?,20?,26-,27-,28+,30?/m1/s1InChIKey
PLPYIOUTUPSPMU-VYOWOUGHSA-NSynonyms
(1S2R3AR)1(ADAMANTANE1CARBONYL)2(24DICHLOROPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2R3aR)2(24dichlorophenyl)1(tricyclo(3311~37~)dec1ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(C5N4C6=CC=CC=C6C=C5)(C#N)C#N)C7=C(C=C(C=C7)Cl)Cl
InChI=1SC31H27Cl2N3Oc32226723(24(33)1222)2728(29(37)301318919(1430)1120(1018)1530)3625421321(25)5826(36)31(271634)1735h181218202628H9111315H2t18?19?20?262728+30?m1s1
MFCD18246811
N#CC1(C#N)(C@H)2C=Cc3c(N2(C@@H)((C@H)1c1ccc(cc1Cl)Cl)C(=O)C12CC4CC(C2)CC(C1)C4)cccc3
ZINC000033353783
ZINC33353783
Check stock
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Check stock on Vitas-MAvailable files
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