Vitas-M small molecule compound
(3Z,5E)-1-benzyl-3,5-bis(4-ethoxybenzylidene)piperidin-4-one
Catalog ID
STK089781
SMILES CCOc1ccc(cc1)/C=C/1\CN(Cc2ccccc2)C/C(=C/c2ccc(cc2)OCC)/C1=O
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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 C30H31NO3 MW 453.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO3/c1-3-33-28-14-10-23(11-15-28)18-26-21-31(20-25-8-6-5-7-9-25)22-27(30(26)32)19-24-12-16-29(17-13-24)34-4-2/h5-19H,3-4,20-22H2,1-2H3/b26-18-,27-19+InChIKey
MDGORKHUSIPFBI-SZNZDIFOSA-NSynonyms
(3Z5E)1BENZYL35BIS((4ETHOXYPHENYL)METHYLIDENE)PIPERIDIN4ONE
(3Z5E)1BENZYL35BIS(4ETHOXYBENZYLIDENE)PIPERIDIN4ONE
1BENZYL35BIS(4ETHOXYBENZYLIDENE)PIPERIDIN4ONE
CCOC1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)OCC)C2=O)CC4=CC=CC=C4
CCOc1ccc(cc1)C=C1CN(Cc2ccccc2)CC(=Cc2ccc(cc2)OCC)C1=O
InChI=1SC30H31NO3c133328141023(111528)18262131(20258657925)2227(30(26)32)1924121629(171324)3442h519H342022H212H3b26182719+
MFCD01050893
STK089781
ZINC000033922073
ZINC33922073
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