Vitas-M small molecule compound

5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-oxopentanoic acid

Catalog ID
STK713348
SMILES OC(=O)CCCC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C17H22N2O5 MW 334.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O5/c20-16(2-1-3-17(21)22)19-8-6-18(7-9-19)11-13-4-5-14-15(10-13)24-12-23-14/h4-5,10H,1-3,6-9,11-12H2,(H,21,22)
InChIKey
JDVOPBJMLWWIRN-UHFFFAOYSA-N
Synonyms
620931-00-2
5(4(13benzodioxol5ylmethyl)piperazin1yl)5oxopentanoicacid
5(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)5OXOPENTANOICACIDHYDROCHLORIDE
5(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN4IUM1YL)5OXOPENTANOATE
5(4(13BENZODIOXOL5YLMETHYL)PIPERAZINO)5OXOPENTANOICACID
5(4(2H13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)5OXOPENTANOICACID
5(4(BENZO(D)(13)DIOXOL5YLMETHYL)PIPERAZIN1YL)5OXOPENTANOICACID
5(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)5oxopentanoicacidhydrochloride
620931002
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCC(=O)O
InChI=1SC17H22N2O5c2016(21317(21)22)198618(7919)1113451415(1013)24122314h4510H13691112H2(H2122)
MFCD02679078
OC(=O)CCCC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2Cl
ZINC000000147561
ZINC00147561
ZINC147561

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Available files

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