Vitas-M small molecule compound
(2E)-2-(azepan-1-ylcarbonyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
Catalog ID
STK878258
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC)/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 C18H22N2O3 MW 314.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O3/c1-22-16-8-7-14(12-17(16)23-2)11-15(13-19)18(21)20-9-5-3-4-6-10-20/h7-8,11-12H,3-6,9-10H2,1-2H3/b15-11+InChIKey
GXKWFIYHXGOSKD-RVDMUPIBSA-NSynonyms
(2E)2(azepan1ylcarbonyl)3(34dimethoxyphenyl)prop2enenitrile
(E)2(AZEPANE1CARBONYL)3(34DIMETHOXYPHENYL)PROP2ENENITRILE
COC1=C(C=C(C=C1)C=C(C#N)C(=O)N2CCCCCC2)OC
InChI=1SC18H22N2O3c122168714(1217(16)232)1115(1319)18(21)20953461020h781112H36910H212H3b1511+
MFCD01956252
N#CC(=Cc1ccc(c(c1)OC)OC)C(=O)N1CCCCCC1
ZINC000001450974
ZINC01450974
ZINC1450974
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