Vitas-M small molecule compound
(1S,2S,3aR)-1-acetyl-2-[3-methoxy-4-(propan-2-yloxy)phenyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STL001762
SMILES N#CC1(C#N)[C@H](c2ccc(c(c2)OC)OC(C)C)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C
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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 C26H25N3O3 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O3/c1-16(2)32-21-11-9-19(13-22(21)31-4)24-25(17(3)30)29-20-8-6-5-7-18(20)10-12-23(29)26(24,14-27)15-28/h5-13,16,23-25H,1-4H3/t23-,24-,25-/m1/s1InChIKey
ZZKAOIBBAKYKHH-UBFVSLLYSA-NSynonyms
957296-94-5(1S2S3aR)1acetyl2(3methoxy4(propan2yloxy)phenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)1ACETYL2(3METHOXY4PROPAN2YLOXYPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)1acetyl2(4isopropoxy3methoxyphenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1ACETYL2(4ISOPROPOXY3METHOXYPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
957296945
CC(C)OC1=C(C=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C)OC
InChI=1SC26H25N3O3c116(2)322111919(1322(21)314)2425(17(3)30)2920865718(20)101223(29)26(241427)1528h513162325H14H3t232425m1s1
N#CC1(C#N)(C@H)(c2ccc(c(c2)OC)OC(C)C)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C
ZINC000008448547
ZINC08448547
ZINC8448547
Check stock
See real-time availability and sample size for STL001762 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.