Vitas-M small molecule compound

1-[2-(cyanomethyl)-4,5-dimethoxyphenyl]cyclopentanecarbonitrile

Catalog ID
STL321633
SMILES N#CCc1cc(OC)c(cc1C1(C#N)CCCC1)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 C16H18N2O2 MW 270.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O2/c1-19-14-9-12(5-8-17)13(10-15(14)20-2)16(11-18)6-3-4-7-16/h9-10H,3-7H2,1-2H3
InChIKey
QEIBHAXWQXXUEZ-UHFFFAOYSA-N
Synonyms
302589-34-0
1(2(CYANOMETHYL)45DIMETHOXYPHENYL)CYCLOPENTANE1CARBONITRILE
1(2(cyanomethyl)45dimethoxyphenyl)cyclopentanecarbonitrile
302589340
COC1=C(C=C(C(=C1)CC#N)C2(CCCC2)C#N)OC
InChI=1SC16H18N2O2c11914912(5817)13(1015(14)202)16(1118)634716h910H37H212H3
MFCD00415804
ZINC000004762639
ZINC04762639
ZINC4762639

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Available files

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