Vitas-M small molecule compound

3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-5-(3-methoxyphenyl)cyclohex-2-en-1-one

Catalog ID
STK774588
SMILES COc1cccc(c1)C1CC(=CC(=O)C1)NCCc1ccc(c(c1)OC)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 C23H27NO4 MW 381.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO4/c1-26-21-6-4-5-17(14-21)18-12-19(15-20(25)13-18)24-10-9-16-7-8-22(27-2)23(11-16)28-3/h4-8,11,14-15,18,24H,9-10,12-13H2,1-3H3
InChIKey
RMNNNHMQGOFWKL-UHFFFAOYSA-N
Synonyms

3((2(34dimethoxyphenyl)ethyl)amino)5(3methoxyphenyl)cyclohex2en1one
3(2(34DIMETHOXYPHENYL)ETHYLAMINO)5(3METHOXYPHENYL)CYCLOHEX2EN1ONE
COC1=C(C=C(C=C1)CCNC2=CC(=O)CC(C2)C3=CC(=CC=C3)OC)OC
InChI=1SC23H27NO4c1262164517(1421)181219(1520(25)1318)24109167822(272)23(1116)283h481114151824H9101213H213H3
MFCD04061012
ZINC000100152156
ZINC000100152160

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Available files

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