Vitas-M small molecule compound
(1S,2S,3aR)-1-acetyl-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STL001093
SMILES CCOc1cc(ccc1OC(C)C)[C@@H]1[C@@H](C(=O)C)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 C27H27N3O3 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3/c1-5-32-23-14-20(10-12-22(23)33-17(2)3)25-26(18(4)31)30-21-9-7-6-8-19(21)11-13-24(30)27(25,15-28)16-29/h6-14,17,24-26H,5H2,1-4H3/t24-,25-,26-/m1/s1InChIKey
WRTXAVTVAMEFBR-TWJOJJKGSA-NSynonyms
956938-06-0(1S2S3aR)1acetyl2(3ethoxy4(propan2yloxy)phenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)1acetyl2(3ethoxy4isopropoxyphenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)1acetyl2(3ethoxy4propan2yloxyphenyl)23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
956938060
CCOC1=C(C=CC(=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C)OC(C)C
CCOc1cc(ccc1OC(C)C)(C@@H)1(C@@H)(C(=O)C)N2(C@@H)(C1(C#N)C#N)C=Cc1c2cccc1
InChI=1SC27H27N3O3c1532231420(101222(23)3317(2)3)2526(18(4)31)3021976819(21)111324(30)27(251528)1629h614172426H5H214H3t242526m1s1
MFCD18247090
ZINC000009272117
ZINC09272117
ZINC9272117
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.