Vitas-M small molecule compound
1-{(1E)-3-(azepan-1-yl)-1-[4-(benzyloxy)phenyl]-3-oxoprop-1-en-2-yl}pyridin-2(1H)-one
Catalog ID
STK063820
SMILES O=C(/C(=C\c1ccc(cc1)OCc1ccccc1)/n1ccccc1=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 C27H28N2O3 MW 428.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O3/c30-26-12-6-9-19-29(26)25(27(31)28-17-7-1-2-8-18-28)20-22-13-15-24(16-14-22)32-21-23-10-4-3-5-11-23/h3-6,9-16,19-20H,1-2,7-8,17-18,21H2/b25-20+InChIKey
GMTCBOQFLOREMT-LKUDQCMESA-NSynonyms
1((1E)3(AZEPAN1YL)1(4(BENZYLOXY)PHENYL)3OXOPROP1EN2YL)PYRIDIN2(1H)ONE
1((E)3(azepan1yl)3oxo1(4phenylmethoxyphenyl)prop1en2yl)pyridin2one
C1CCCN(CC1)C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC=C3)N4C=CC=CC4=O
InChI=1SC27H28N2O3c302612691929(26)25(27(31)281771281828)2022131524(161422)322123104351123h369161920H1278171821H2b2520+
MFCD09267192
O=C(C(=Cc1ccc(cc1)OCc1ccccc1)n1ccccc1=O)N1CCCCCC1
STK063820
ZINC000013897316
ZINC13897316
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