Vitas-M small molecule compound

(2R,3R,10bS)-2-(thiophen-2-yl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile

Catalog ID
STK525151
SMILES N#CC1(C#N)[C@@H](c2cccs2)[C@@H](N2[C@H]1c1ccccc1C=C2)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(23-6-3-9-34-23)25(32-8-7-21-4-1-2-5-22(21)26(29)32)27(33)28-13-18-10-19(14-28)12-20(11-18)15-28/h1-9,18-20,24-26H,10-15H2/t18?,19?,20?,24-,25+,26-,28?/m0/s1
InChIKey
SLIIEPATBUXUAY-CQOMAHRCSA-N
Synonyms
303966-05-4
(2R3R10bS)2(thiophen2yl)3(tricyclo(3311~37~)dec1ylcarbonyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10bS)3((3R5R7R)adamantane1carbonyl)2(thiophen2yl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10bS)3(adamantane1carbonyl)2thiophen2yl310bdihydro2Hpyrrolo(21a)isoquinoline11dicarbonitrile
303966054
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(C5N4C=CC6=CC=CC=C56)(C#N)C#N)C7=CC=CS7
InChI=1SC29H27N3OSc301629(1731)24(236393423)25(328721412522(21)26(29)32)27(33)2813181019(1428)1220(1118)1528h1918202426H1015H2t18?19?20?2425+2628?m0s1
N#CC1(C#N)(C@@H)(c2cccs2)(C@@H)(N2(C@H)1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000035366089
ZINC35366089

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.