Vitas-M small molecule compound
6-(azepan-1-ylmethyl)-3-hydroxy-2-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)-4H-pyran-4-one
Catalog ID
STL567229
SMILES Oc1c(=O)cc(oc1CN1CCN(CC1)C/C=C/c1ccccc1)CN1CCCCCC1
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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 C26H35N3O3 MW 437.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35N3O3/c30-24-19-23(20-28-12-6-1-2-7-13-28)32-25(26(24)31)21-29-17-15-27(16-18-29)14-8-11-22-9-4-3-5-10-22/h3-5,8-11,19,31H,1-2,6-7,12-18,20-21H2/b11-8+InChIKey
OOGUXAFLFCGUCM-DHZHZOJOSA-NSynonyms
1630908-18-7(E)6(AZEPAN1YLMETHYL)2((4CINNAMYLPIPERAZIN1YL)METHYL)3HYDROXY4HPYRAN4ONE
1630908187
6(azepan1ylmethyl)3hydroxy2((4((2E)3phenylprop2en1yl)piperazin1yl)methyl)4Hpyran4one
6(azepan1ylmethyl)3hydroxy2((4((E)3phenylprop2enyl)piperazin1yl)methyl)pyran4one
91640462
InChI=1SC26H35N3O3c30241923(20281261271328)3225(26(24)31)2129171527(161829)148112294351022h358111931H126712182021H2b118+
MFCD28367867
Oc1c(=O)cc(oc1CN1CCN(CC1)CC=Cc1ccccc1)CN1CCCCCC1
ZINC000218321352
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