Vitas-M small molecule compound
(2E)-1-(azepan-1-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
Catalog ID
STK289360
SMILES COc1c(/C=C/C(=O)N2CCCCCC2)ccc(c1OC)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 C18H25NO4 MW 319.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25NO4/c1-21-15-10-8-14(17(22-2)18(15)23-3)9-11-16(20)19-12-6-4-5-7-13-19/h8-11H,4-7,12-13H2,1-3H3/b11-9+InChIKey
NDWNETZNQPNSCB-PKNBQFBNSA-NSynonyms
(2E)1(AZEPAN1YL)3(234TRIMETHOXYPHENYL)PROP2EN1ONE
(E)1(AZEPAN1YL)3(234TRIMETHOXYPHENYL)PROP2EN1ONE
COC1=C(C(=C(C=C1)C=CC(=O)N2CCCCCC2)OC)OC
COc1c(C=CC(=O)N2CCCCCC2)ccc(c1OC)OC
InChI=1SC18H25NO4c1211510814(17(222)18(15)233)91116(20)191264571319h811H471213H213H3b119+
MFCD09960247
ZINC000009973452
ZINC09973452
ZINC9973452
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