Vitas-M small molecule compound
(1S,2S,3aR)-2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK700318
SMILES COc1cc(OC)cc(c1)[C@@H]1[C@@H](C(=O)c2ccc(cc2)F)N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1
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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 C29H22FN3O3 MW 479.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22FN3O3/c1-35-22-13-20(14-23(15-22)36-2)26-27(28(34)19-7-10-21(30)11-8-19)33-24-6-4-3-5-18(24)9-12-25(33)29(26,16-31)17-32/h3-15,25-27H,1-2H3/t25-,26-,27+/m1/s1InChIKey
GXOKDNKZGJKLEZ-PFBJBMPXSA-NSynonyms
302901-73-1(1S2S3aR)2(35dimethoxyphenyl)1((4fluorophenyl)carbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)2(35dimethoxyphenyl)1(4fluorobenzoyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)2(35dimethoxyphenyl)1(4fluorobenzoyl)23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
302901731
COC1=CC(=CC(=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)F)OC
COc1cc(OC)cc(c1)(C@@H)1(C@@H)(C(=O)c2ccc(cc2)F)N2(C@@H)(C1(C#N)C#N)C=Cc1c2cccc1
InChI=1SC29H22FN3O3c135221320(1423(1522)362)2627(28(34)1971021(30)11819)3324643518(24)91225(33)29(261631)1732h3152527H12H3t252627+m1s1
ZINC000008926207
ZINC08926207
ZINC8926207
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.