Vitas-M small molecule compound

diethyl 2,2'-(piperazine-1,4-diyldimethanediyl)bis(5-methoxy-1-benzofuran-3-carboxylate)

Catalog ID
STK058710
SMILES CCOC(=O)c1c(CN2CCN(CC2)Cc2oc3c(c2C(=O)OCC)cc(cc3)OC)oc2c1cc(OC)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 C30H34N2O8 MW 550.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O8/c1-5-37-29(33)27-21-15-19(35-3)7-9-23(21)39-25(27)17-31-11-13-32(14-12-31)18-26-28(30(34)38-6-2)22-16-20(36-4)8-10-24(22)40-26/h7-10,15-16H,5-6,11-14,17-18H2,1-4H3
InChIKey
XOEDAYKYVMEMSY-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)CN3CCN(CC3)CC4=C(C5=C(O4)C=CC(=C5)OC)C(=O)OCC
CCOC(=O)c1c(CN2CCN(CC2)Cc2oc3c(c2C(=O)OCC)cc(cc3)OC)oc2c1cc(OC)cc2
diethyl22(piperazine14diylbis(methylene))bis(5methoxybenzofuran3carboxylate)
DIETHYL22(PIPERAZINE14DIYLDIMETHANEDIYL)BIS(5METHOXY1BENZOFURAN3CARBOXYLATE)
ETHYL2((4((3ETHOXYCARBONYL5METHOXY1BENZOFURAN2YL)METHYL)PIPERAZIN1YL)METHYL)5METHOXY1BENZOFURAN3CARBOXYLATE
InChI=1SC30H34N2O8c153729(33)27211519(353)7923(21)3925(27)1731111332(141231)182628(30(34)3862)221620(364)81024(22)4026h7101516H5611141718H214H3
MFCD00309882
STK058710
ZINC000022576017
ZINC22576017

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Available files

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