Vitas-M small molecule compound

(3S)-2-(3-bromo-4-methoxyphenyl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)cyclopropane-1,1-dicarbonitrile

Catalog ID
STK546510
SMILES N#CC1(C#N)C([C@@H]1C(=O)C12CC3CC(C2)CC(C1)C3)c1ccc(c(c1)Br)OC

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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 C23H23BrN2O2 MW 439.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN2O2/c1-28-18-3-2-16(7-17(18)24)19-20(23(19,11-25)12-26)21(27)22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,13-15,19-20H,4-6,8-10H2,1H3/t13?,14?,15?,19?,20-,22?/m1/s1
InChIKey
JQLLMUOVGXVQGB-NOXDJGQGSA-N
Synonyms
494794-12-6
(2S)2((3S5S7S)adamantane1carbonyl)3(3bromo4methoxyphenyl)cyclopropane11dicarbonitrile
(2S)2(adamantane1carbonyl)3(3bromo4methoxyphenyl)cyclopropane11dicarbonitrile
(3S)2(3bromo4methoxyphenyl)3(tricyclo(3311~37~)dec1ylcarbonyl)cyclopropane11dicarbonitrile
2(1ADAMANTYLCARBONYL)3(3BROMO4METHOXYPHENYL)11CYCLOPROPANEDICARBONITRILE
494794126
COC1=C(C=C(C=C1)C2C(C2(C#N)C#N)C(=O)C34CC5CC(C3)CC(C5)C4)Br
InChI=1SC23H23BrN2O2c128183216(717(18)24)1920(23(191125)1226)21(27)22813414(922)615(513)1022h23713151920H46810H21H3t13?14?15?19?2022?m1s1
MFCD18242296
N#CC1(C#N)C((C@@H)1C(=O)C12CC3CC(C2)CC(C1)C3)c1ccc(c(c1)Br)OC
ZINC000008747786
ZINC000008747789

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Available files

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