Vitas-M small molecule compound

methyl 4-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-hydroxypropoxy}benzoate

Catalog ID
STK975270
SMILES COC(=O)c1ccc(cc1)OCC(CN1CCN(CC1)Cc1ccc2c(c1)OCO2)O

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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 C23H28N2O6 MW 428.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O6/c1-28-23(27)18-3-5-20(6-4-18)29-15-19(26)14-25-10-8-24(9-11-25)13-17-2-7-21-22(12-17)31-16-30-21/h2-7,12,19,26H,8-11,13-16H2,1H3
InChIKey
VOSPIVDKBBNPDD-UHFFFAOYSA-N
Synonyms
503432-74-4
503432744
COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O
InChI=1SC23H28N2O6c12823(27)183520(6418)291519(26)142510824(91125)1317272122(1217)31163021h27121926H8111316H21H3
methyl4(3(4(13benzodioxol5ylmethyl)piperazin1yl)2hydroxypropoxy)benzoate
methyl4(3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)2hydroxypropoxy)benzoate
MFCD03268856
ZINC000022783734
ZINC000022922256

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Available files

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