Vitas-M small molecule compound

(2S,3R)-2-(3-chlorophenyl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)cyclopropane-1,1-dicarbonitrile

Catalog ID
STK588542
SMILES N#CC1(C#N)[C@@H]([C@H]1C(=O)C12CC3CC(C2)CC(C1)C3)c1cccc(c1)Cl

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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 C22H21ClN2O MW 364.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O/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/s1
InChIKey
CGYIQWJSGIIUNY-RLERJZMCSA-N
Synonyms
413576-43-9
(2R3S)2((3R5R7R)adamantane1carbonyl)3(3chlorophenyl)cyclopropane11dicarbonitrile
(2R3S)2(ADAMANTANE1CARBONYL)3(3CHLOROPHENYL)CYCLOPROPANE11DICARBONITRILE
(2S3R)2(3chlorophenyl)3(tricyclo(3311~37~)dec1ylcarbonyl)cyclopropane11dicarbonitrile
(2S3R)3(ADAMANTANYLCARBONYL)2(3CHLOROPHENYL)CYCLOPROPANE11DICARBONITRILE
2(1ADAMANTYLCARBONYL)3(3CHLOROPHENYL)11CYCLOPROPANEDICARBONITRILE
413576439
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C4(C#N)C#N)C5=CC(=CC=C5)Cl
InChI=1SC22H21ClN2Oc231731216(717)1819(22(181124)1225)20(26)21813414(921)615(513)1021h13713151819H46810H2t13?14?15?1819+21?m1s1
N#CC1(C#N)(C@@H)((C@H)1C(=O)C12CC3CC(C2)CC(C1)C3)c1cccc(c1)Cl
ZINC000004652940
ZINC04652940
ZINC4652940

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Available files

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