Vitas-M small molecule compound

2-butanoyl-3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-5-phenylcyclohex-2-en-1-one

Catalog ID
STK681263
SMILES CCCC(=O)C1=C(NCCc2ccc(c(c2)OCC)OCC)CC(CC1=O)c1ccccc1

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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 C28H35NO4 MW 449.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35NO4/c1-4-10-24(30)28-23(18-22(19-25(28)31)21-11-8-7-9-12-21)29-16-15-20-13-14-26(32-5-2)27(17-20)33-6-3/h7-9,11-14,17,22,29H,4-6,10,15-16,18-19H2,1-3H3
InChIKey
RBAJGAYYGOVLAB-UHFFFAOYSA-N
Synonyms
2butanoyl3((2(34diethoxyphenyl)ethyl)amino)5phenylcyclohex2en1one
2BUTANOYL3(2(34DIETHOXYPHENYL)ETHYLAMINO)5PHENYLCYCLOHEX2EN1ONE
CCCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NCCC3=CC(=C(C=C3)OCC)OCC
Registry IDs
MFCD03768773
ZINC000100140344
ZINC000100140346

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.