Vitas-M small molecule compound

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](2,3-dihydro-1,4-benzodioxin-6-yl)methanone

Catalog ID
STK411501
SMILES O=C(c1ccc2c(c1)OCCO2)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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c24-21(16-2-4-17-20(12-16)26-10-9-25-17)23-7-5-22(6-8-23)13-15-1-3-18-19(11-15)28-14-27-18/h1-4,11-12H,5-10,13-14H2
InChIKey
XQWTXMUVHKTOCD-UHFFFAOYSA-N
Synonyms
830343-02-7
(4(13benzodioxol5ylmethyl)piperazin1yl)(23dihydro14benzodioxin6yl)methanone
2H3HBENZO(34E)14DIOXAN6YL4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYLKETONE
830343027
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCCO5
InChI=1SC21H22N2O5c2421(16241720(1216)261092517)237522(6823)1315131819(1115)28142718h141112H5101314H2
MFCD06625116
ZINC000020472644
ZINC20472644

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Available files

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