Vitas-M small molecule compound
(3S)-2-(3-bromophenyl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)cyclopropane-1,1-dicarbonitrile
Catalog ID
STK545898
SMILES N#CC1(C#N)C([C@@H]1C(=O)C12CC3CC(C2)CC(C1)C3)c1cccc(c1)Br
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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 C22H21BrN2O MW 409.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O/c23-17-3-1-2-16(7-17)18-19(22(18,11-24)12-25)20(26)21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,7,13-15,18-19H,4-6,8-10H2/t13?,14?,15?,18?,19-,21?/m1/s1InChIKey
OIGSKLFCKPTLQH-PZCJBDGTSA-NSynonyms
494793-03-2(2S)2((3S5S7S)adamantane1carbonyl)3(3bromophenyl)cyclopropane11dicarbonitrile
(2S)2(adamantane1carbonyl)3(3bromophenyl)cyclopropane11dicarbonitrile
(3S)2(3bromophenyl)3(tricyclo(3311~37~)dec1ylcarbonyl)cyclopropane11dicarbonitrile
494793032
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C4(C#N)C#N)C5=CC(=CC=C5)Br
InChI=1SC22H21BrN2Oc231731216(717)1819(22(181124)1225)20(26)21813414(921)615(513)1021h13713151819H46810H2t13?14?15?18?1921?m1s1
MFCD18242252
N#CC1(C#N)C((C@@H)1C(=O)C12CC3CC(C2)CC(C1)C3)c1cccc(c1)Br
ZINC000004936408
ZINC000004936412
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