Vitas-M small molecule compound
(3S)-2-(6-chloro-1,3-benzodioxol-5-yl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)cyclopropane-1,1-dicarbonitrile
Catalog ID
STK842495
SMILES N#CC1(C#N)[C@H](C1c1cc2OCOc2cc1Cl)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 C23H21ClN2O3 MW 408.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O3/c24-16-5-18-17(28-11-29-18)4-15(16)19-20(23(19,9-25)10-26)21(27)22-6-12-1-13(7-22)3-14(2-12)8-22/h4-5,12-14,19-20H,1-3,6-8,11H2/t12?,13?,14?,19?,20-,22?/m1/s1InChIKey
VQSHQDMGUYGNCL-VYVUQCFSSA-NSynonyms
1212431-25-8(2S)2((3S5S7S)adamantane1carbonyl)3(6chlorobenzo(d)(13)dioxol5yl)cyclopropane11dicarbonitrile
(2S)2(adamantane1carbonyl)3(6chloro13benzodioxol5yl)cyclopropane11dicarbonitrile
(3S)2(6chloro13benzodioxol5yl)3(tricyclo(3311~37~)dec1ylcarbonyl)cyclopropane11dicarbonitrile
1212431258
2(1ADAMANTYLCARBONYL)3(6CHLORO13BENZODIOXOL5YL)11CYCLOPROPANEDICARBONITRILE
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C4(C#N)C#N)C5=CC6=C(C=C5Cl)OCO6
InChI=1SC23H21ClN2O3c241651817(28112918)415(16)1920(23(19925)1026)21(27)22612113(722)314(212)822h4512141920H136811H2t12?13?14?19?2022?m1s1
MFCD18247018
N#CC1(C#N)(C@H)(C1c1cc2OCOc2cc1Cl)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000004454751
ZINC000004454752
Check stock
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Check stock on Vitas-MAvailable files
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