Vitas-M small molecule compound
(1S,2R,3aR)-2-(2-chloro-6-fluorophenyl)-1-[(4-fluorophenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK754124
SMILES N#CC1(C#N)[C@@H]([C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)F)c1c(F)cccc1Cl
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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 C27H16ClF2N3O MW 471.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H16ClF2N3O/c28-19-5-3-6-20(30)23(19)24-25(26(34)17-8-11-18(29)12-9-17)33-21-7-2-1-4-16(21)10-13-22(33)27(24,14-31)15-32/h1-13,22,24-25H/t22-,24-,25+/m1/s1InChIKey
QLEQIWOQMSMCRB-GPXOXTDOSA-NSynonyms
(1S2R3aR)2(2chloro6fluorophenyl)1((4fluorophenyl)carbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2R3AR)2(2CHLORO6FLUOROPHENYL)1(4FLUOROBENZOYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
C1=CC=C2C(=C1)C=CC3N2C(C(C3(C#N)C#N)C4=C(C=CC=C4Cl)F)C(=O)C5=CC=C(C=C5)F
InChI=1SC27H16ClF2N3Oc281953620(30)23(19)2425(26(34)1781118(29)12917)3321721416(21)101322(33)27(241431)1532h113222425Ht222425+m1s1
MFCD13372064
N#CC1(C#N)(C@@H)((C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)c1ccc(cc1)F)c1c(F)cccc1Cl
ZINC000001053262
ZINC01053262
ZINC1053262
Check stock
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