Vitas-M small molecule compound
(1S,2S,3aR)-2-(4-fluorophenyl)-1-(thiophen-2-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK751959
SMILES N#CC1(C#N)[C@H](c2ccc(cc2)F)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1cccs1
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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 C25H16FN3OS MW 425.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16FN3OS/c26-18-10-7-17(8-11-18)22-23(24(30)20-6-3-13-31-20)29-19-5-2-1-4-16(19)9-12-21(29)25(22,14-27)15-28/h1-13,21-23H/t21-,22-,23+/m1/s1InChIKey
DNJULKZQAGXJOT-ZLNRFVROSA-NSynonyms
(1S2S3aR)2(4fluorophenyl)1(thiophen2ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)2(4FLUOROPHENYL)1(THIOPHENE2CARBONYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
C1=CC=C2C(=C1)C=CC3N2C(C(C3(C#N)C#N)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5
InChI=1SC25H16FN3OSc261810717(81118)2223(24(30)2063133120)2919521416(19)91221(29)25(221427)1528h1132123Ht212223+m1s1
MFCD01244569
N#CC1(C#N)(C@H)(c2ccc(cc2)F)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)c1cccs1
ZINC000009761171
ZINC09761171
ZINC9761171
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