Vitas-M small molecule compound
(2E)-2-(azepan-1-ylcarbonyl)-3-(3,4-dichlorophenyl)prop-2-enenitrile
Catalog ID
STK809461
SMILES N#C/C(=C\c1ccc(c(c1)Cl)Cl)/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 C16H16Cl2N2O MW 323.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16Cl2N2O/c17-14-6-5-12(10-15(14)18)9-13(11-19)16(21)20-7-3-1-2-4-8-20/h5-6,9-10H,1-4,7-8H2/b13-9+InChIKey
XKYCXOFZSXFIPR-UKTHLTGXSA-NSynonyms
(2E)2(azepan1ylcarbonyl)3(34dichlorophenyl)prop2enenitrile
(E)2(AZEPANE1CARBONYL)3(34DICHLOROPHENYL)PROP2ENENITRILE
C1CCCN(CC1)C(=O)C(=CC2=CC(=C(C=C2)Cl)Cl)C#N
InChI=1SC16H16Cl2N2Oc17146512(1015(14)18)913(1119)16(21)2073124820h56910H1478H2b139+
MFCD03461368
N#CC(=Cc1ccc(c(c1)Cl)Cl)C(=O)N1CCCCCC1
ZINC000001104957
ZINC01104957
ZINC1104957
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