Vitas-M small molecule compound

(1S,2R,3aR)-2-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK754961
SMILES N#CC1(C#N)[C@H]2C=Cc3c(N2[C@@H]([C@H]1c1ccccc1Cl)C(=O)C(C)(C)C)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 C25H22ClN3O MW 415.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O/c1-24(2,3)23(30)22-21(17-9-5-6-10-18(17)26)25(14-27,15-28)20-13-12-16-8-4-7-11-19(16)29(20)22/h4-13,20-22H,1-3H3/t20-,21-,22+/m1/s1
InChIKey
IHUQXEDTZYJQAX-VSKRKVRLSA-N
Synonyms
293312-90-0
(1S2R3aR)2(2chlorophenyl)1(22dimethylpropanoyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2R3AR)2(2CHLOROPHENYL)1(22DIMETHYLPROPANOYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2R3aR)2(2chlorophenyl)1pivaloyl12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
293312900
CC(C)(C)C(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=CC=C4Cl
InChI=1SC25H22ClN3Oc124(23)23(30)2221(179561018(17)26)25(14271528)201312168471119(16)29(20)22h4132022H13H3t202122+m1s1
MFCD13372072
N#CC1(C#N)(C@H)2C=Cc3c(N2(C@@H)((C@H)1c1ccccc1Cl)C(=O)C(C)(C)C)cccc3
ZINC000004117222
ZINC04117222
ZINC4117222

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Available files

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