Vitas-M small molecule compound
(2E)-2-(azepan-1-ylcarbonyl)-3-(4-methylphenyl)prop-2-enenitrile
Catalog ID
STK878259
SMILES N#C/C(=C\c1ccc(cc1)C)/C(=O)N1CCCCCC1
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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 C17H20N2O MW 268.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O/c1-14-6-8-15(9-7-14)12-16(13-18)17(20)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2,1H3/b16-12+InChIKey
WBVSRMMSRUTNRZ-FOWTUZBSSA-NSynonyms
(2E)2(azepan1ylcarbonyl)3(4methylphenyl)prop2enenitrile
(E)2(AZEPANE1CARBONYL)3(4METHYLPHENYL)PROP2ENENITRILE
CC1=CC=C(C=C1)C=C(C#N)C(=O)N2CCCCCC2
InChI=1SC17H20N2Oc1146815(9714)1216(1318)17(20)191042351119h6912H251011H21H3b1612+
MFCD03461459
N#CC(=Cc1ccc(cc1)C)C(=O)N1CCCCCC1
ZINC000001452602
ZINC01452602
ZINC1452602
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