Vitas-M small molecule compound
(2R,3R,10bS)-2-(3-bromophenyl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Catalog ID
STK525475
SMILES N#CC1(C#N)[C@@H](c2cccc(c2)Br)[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 C31H28BrN3O MW 538.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrN3O/c32-24-6-3-5-23(13-24)26-27(29(36)30-14-19-10-20(15-30)12-21(11-19)16-30)35-9-8-22-4-1-2-7-25(22)28(35)31(26,17-33)18-34/h1-9,13,19-21,26-28H,10-12,14-16H2/t19?,20?,21?,26-,27+,28-,30?/m0/s1InChIKey
MHOVHZVBLVSQTL-BSVVFNILSA-NSynonyms
303013-63-0(2R3R10bS)2(3bromophenyl)3(tricyclo(3311~37~)dec1ylcarbonyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10bS)3((1s3S)adamantane1carbonyl)2(3bromophenyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10bS)3(adamantane1carbonyl)2(3bromophenyl)310bdihydro2Hpyrrolo(21a)isoquinoline11dicarbonitrile
303013630
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(C5N4C=CC6=CC=CC=C56)(C#N)C#N)C7=CC(=CC=C7)Br
InChI=1SC31H28BrN3Oc322463523(1324)2627(29(36)3014191020(1530)1221(1119)1630)359822412725(22)28(35)31(261733)1834h191319212628H10121416H2t19?20?21?2627+2830?m0s1
N#CC1(C#N)(C@@H)(c2cccc(c2)Br)(C@@H)(N2(C@H)1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000100682322
ZINC100682322
Check stock
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Check stock on Vitas-MAvailable files
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