Vitas-M small molecule compound
(1S,2S,3aR)-7-bromo-2-phenyl-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STL170527
SMILES N#CC1(C#N)[C@H](c2ccccc2)[C@H](N2[C@@H]1C=Cc1c2ccc(c1)Br)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/c32-24-7-8-25-23(13-24)6-9-26-31(17-33,18-34)27(22-4-2-1-3-5-22)28(35(25)26)29(36)30-14-19-10-20(15-30)12-21(11-19)16-30/h1-9,13,19-21,26-28H,10-12,14-16H2/t19?,20?,21?,26-,27-,28+,30?/m1/s1InChIKey
WFMPFVUBSRWUON-NBKNYSPXSA-NSynonyms
489406-33-9(1S2S3aR)1(adamantane1carbonyl)7bromo2phenyl23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
(1S2S3aR)7bromo2phenyl1(tricyclo(3311~37~)dec1ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
489406339
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(C5N4C6=C(C=C5)C=C(C=C6)Br)(C#N)C#N)C7=CC=CC=C7
InChI=1SC31H28BrN3Oc3224782523(1324)692631(17331834)27(224213522)28(35(25)26)29(36)3014191020(1530)1221(1119)1630h191319212628H10121416H2t19?20?21?262728+30?m1s1
N#CC1(C#N)(C@H)(c2ccccc2)(C@H)(N2(C@@H)1C=Cc1c2ccc(c1)Br)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000097959377
ZINC97959377
Check stock
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Check stock on Vitas-MAvailable files
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