Vitas-M small molecule compound

ethyl 2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-5-hydroxy-1-benzofuran-3-carboxylate

Catalog ID
STK682448
SMILES CCOC(=O)c1c(CN2CCN(CC2)CC#N)oc2c1cc(O)cc2

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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 C18H21N3O4 MW 343.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O4/c1-2-24-18(23)17-14-11-13(22)3-4-15(14)25-16(17)12-21-9-7-20(6-5-19)8-10-21/h3-4,11,22H,2,6-10,12H2,1H3
InChIKey
ZGKADGJWNAGFLM-UHFFFAOYSA-N
Synonyms
CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CN3CCN(CC3)CC#N
ethyl2((4(cyanomethyl)piperazin1yl)methyl)5hydroxy1benzofuran3carboxylate
Registry IDs
MFCD03855934
ZINC000019857084
ZINC19857084

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Available files

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