Vitas-M small molecule compound
2-(thiophen-2-yl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STL326364
SMILES N#CC1(C#N)C(c2cccs2)C(N2C1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3
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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 C29H27N3OS MW 465.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3OS/c30-16-29(17-31)24-8-7-21-4-1-2-5-22(21)32(24)26(25(29)23-6-3-9-34-23)27(33)28-13-18-10-19(14-28)12-20(11-18)15-28/h1-9,18-20,24-26H,10-15H2InChIKey
UKRNUAJXZWEDEO-UHFFFAOYSA-NSynonyms
(1S2S3aR)1((3S5S7S)adamantane1carbonyl)2(thiophen2yl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1(ADAMANTANE1CARBONYL)2THIOPHEN2YL23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
2(thiophen2yl)1(tricyclo(3311~37~)dec1ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(C5N4C6=CC=CC=C6C=C5)(C#N)C#N)C7=CC=CS7
InChI=1SC29H27N3OSc301629(1731)248721412522(21)32(24)26(25(29)236393423)27(33)2813181019(1428)1220(1118)1528h1918202426H1015H2
N#CC1(C#N)(C@H)(c2cccs2)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000009144837
ZINC000108520019
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