Vitas-M small molecule compound

1-[(4-chlorophenyl)carbonyl]-2-(pyridin-4-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STL322749
SMILES N#CC1(C#N)C(c2ccncc2)C(N2C1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl

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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 C26H17ClN4O MW 436.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17ClN4O/c27-20-8-5-19(6-9-20)25(32)24-23(18-11-13-30-14-12-18)26(15-28,16-29)22-10-7-17-3-1-2-4-21(17)31(22)24/h1-14,22-24H
InChIKey
OXCIYJZVMDHYKH-UHFFFAOYSA-N
Synonyms

(1S2S3aR)1(4chlorobenzoyl)2(pyridin4yl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1((4chlorophenyl)carbonyl)2(pyridin4yl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1(4CHLOROBENZOYL)2PYRIDIN4YL23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
C1=CC=C2C(=C1)C=CC3N2C(C(C3(C#N)C#N)C4=CC=NC=C4)C(=O)C5=CC=C(C=C5)Cl
InChI=1SC26H17ClN4Oc27208519(6920)25(32)2423(18111330141218)26(15281629)2210717312421(17)31(22)24h1142224H
MFCD28032006
N#CC1(C#N)(C@H)(c2ccncc2)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl
ZINC000008926469
ZINC000108519643

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.