Vitas-M small molecule compound
(1S,2R,3aR)-1-acetyl-2-(2-chlorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK525951
SMILES N#CC1(C#N)[C@H]2C=Cc3c(N2[C@@H]([C@H]1c1ccccc1Cl)C(=O)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 C22H16ClN3O MW 373.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O/c1-14(27)21-20(16-7-3-4-8-17(16)23)22(12-24,13-25)19-11-10-15-6-2-5-9-18(15)26(19)21/h2-11,19-21H,1H3/t19-,20-,21-/m1/s1InChIKey
JEZMQZHXKNOZQC-NJDAHSKKSA-NSynonyms
302941-93-1(1S2R3aR)1acetyl2(2chlorophenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2R3AR)1ACETYL2(2CHLOROPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
302941931
CC(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=CC=C4Cl
InChI=1SC22H16ClN3Oc114(27)2120(16734817(16)23)22(12241325)19111015625918(15)26(19)21h2111921H1H3t192021m1s1
N#CC1(C#N)(C@H)2C=Cc3c(N2(C@@H)((C@H)1c1ccccc1Cl)C(=O)C)cccc3
ZINC000004733770
ZINC04733770
ZINC4733770
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