Vitas-M small molecule compound

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide

Catalog ID
STL115645
SMILES COc1ccc(cc1)c1nc(C)cc(=O)n1CC(=O)NCCC1=CCCCC1

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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 C22H27N3O3 MW 381.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O3/c1-16-14-21(27)25(22(24-16)18-8-10-19(28-2)11-9-18)15-20(26)23-13-12-17-6-4-3-5-7-17/h6,8-11,14H,3-5,7,12-13,15H2,1-2H3,(H,23,26)
InChIKey
XEMWDXBRMZTVMC-UHFFFAOYSA-N
Synonyms

CC1=CC(=O)N(C(=N1)C2=CC=C(C=C2)OC)CC(=O)NCCC3=CCCCC3
InChI=1SC22H27N3O3c1161421(27)25(22(2416)1881019(282)11918)1520(26)231312176435717h681114H357121315H212H3(H2326)
MFCD20732365
N(2(cyclohex1en1yl)ethyl)2(2(4methoxyphenyl)4methyl6oxopyrimidin1(6H)yl)acetamide
N(2(cyclohexen1yl)ethyl)2(2(4methoxyphenyl)4methyl6oxopyrimidin1yl)acetamide
ZINC000067198534
ZINC67198534

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Available files

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