Vitas-M small molecule compound
(1S,2S,3aR)-1-acetyl-2-(4-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK751380
SMILES N#CC1(C#N)[C@H](c2ccc(cc2)F)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C
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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 C22H16FN3O MW 357.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O/c1-14(27)21-20(16-6-9-17(23)10-7-16)22(12-24,13-25)19-11-8-15-4-2-3-5-18(15)26(19)21/h2-11,19-21H,1H3/t19-,20-,21-/m1/s1InChIKey
JTEMAQOLOZDCDE-NJDAHSKKSA-NSynonyms
294845-31-1(1S2S3aR)1acetyl2(4fluorophenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)1ACETYL2(4FLUOROPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
294845311
CC(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=C(C=C4)F
InChI=1SC22H16FN3Oc114(27)2120(166917(23)10716)22(12241325)1911815423518(15)26(19)21h2111921H1H3t192021m1s1
MFCD01244618
N#CC1(C#N)(C@H)(c2ccc(cc2)F)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C
ZINC000004004521
ZINC04004521
ZINC4004521
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