Vitas-M small molecule compound
(2S,3R,10bS)-2-(2-fluorophenyl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Catalog ID
STK525957
SMILES N#CC1(C#N)[C@@H](c2ccccc2F)[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 C31H28FN3O MW 477.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28FN3O/c32-25-8-4-3-7-24(25)26-27(29(36)30-14-19-11-20(15-30)13-21(12-19)16-30)35-10-9-22-5-1-2-6-23(22)28(35)31(26,17-33)18-34/h1-10,19-21,26-28H,11-16H2/t19?,20?,21?,26-,27+,28-,30?/m0/s1InChIKey
OYZJEHJTCBQMOT-BSVVFNILSA-NSynonyms
302942-23-0(2S3R10bS)2(2fluorophenyl)3(tricyclo(3311~37~)dec1ylcarbonyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2S3R10bS)3((3R5R7R)adamantane1carbonyl)2(2fluorophenyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2S3R10bS)3(adamantane1carbonyl)2(2fluorophenyl)310bdihydro2Hpyrrolo(21a)isoquinoline11dicarbonitrile
302942230
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(C5N4C=CC6=CC=CC=C56)(C#N)C#N)C7=CC=CC=C7F
InChI=1SC31H28FN3Oc3225843724(25)2627(29(36)3014191120(1530)1321(1219)1630)3510922512623(22)28(35)31(261733)1834h11019212628H1116H2t19?20?21?2627+2830?m0s1
N#CC1(C#N)(C@@H)(c2ccccc2F)(C@@H)(N2(C@H)1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000035366065
ZINC35366065
Check stock
See real-time availability and sample size for STK525957 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.