Vitas-M small molecule compound
(1S,2S,3aR)-2-(biphenyl-4-yl)-7-chloro-1-(trifluoroacetyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK754118
SMILES N#CC1(C#N)[C@H](c2ccc(cc2)c2ccccc2)[C@H](N2[C@@H]1C=Cc1c2ccc(c1)Cl)C(=O)C(F)(F)F
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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 C28H17ClF3N3O MW 503.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H17ClF3N3O/c29-21-11-12-22-20(14-21)10-13-23-27(15-33,16-34)24(25(35(22)23)26(36)28(30,31)32)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-14,23-25H/t23-,24-,25+/m1/s1InChIKey
SURRITGOIOIUCH-SDHSZQHLSA-NSynonyms
(1S2S3aR)2(biphenyl4yl)7chloro1(trifluoroacetyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)7CHLORO2(4PHENYLPHENYL)1(222TRIFLUOROACETYL)103ADIHYDROPYRROLIDINO(12A)QUINOLINE33DICARBONITRILE
(1S2S3AR)7CHLORO2(4PHENYLPHENYL)1(222TRIFLUOROACETYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
C1=CC=C(C=C1)C2=CC=C(C=C2)C3C(N4C(C3(C#N)C#N)C=CC5=C4C=CC(=C5)Cl)C(=O)C(F)(F)F
InChI=1SC28H17ClF3N3Oc292111122220(1421)10132327(15331634)24(25(35(22)23)26(36)28(3031)32)198618(7919)174213517h1142325Ht232425+m1s1
MFCD01244557
N#CC1(C#N)(C@H)(c2ccc(cc2)c2ccccc2)(C@H)(N2(C@@H)1C=Cc1c2ccc(c1)Cl)C(=O)C(F)(F)F
ZINC000008863808
ZINC08863808
ZINC8863808
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.