Vitas-M small molecule compound

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

Catalog ID
STK017299
SMILES O=C(C1COc2c(O1)cccc2)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(20-13-25-16-3-1-2-4-18(16)28-20)23-9-7-22(8-10-23)12-15-5-6-17-19(11-15)27-14-26-17/h1-6,11,20H,7-10,12-14H2
InChIKey
PLABTXQCACVQGC-UHFFFAOYSA-N
Synonyms

(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(23DIHYDRO14BENZODIOXIN2YL)METHANONE
(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(23DIHYDRO14BENZODIOXIN3YL)METHANONE
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4COC5=CC=CC=C5O4
InChI=1SC21H22N2O5c2421(20132516312418(16)2820)239722(81023)1215561719(1115)27142617h161120H7101214H2
MFCD03724514
O=C(C1COc2c(O1)cccc2)N1CCN(CC1)Cc1ccc2c(c1)OCO2
STK017299
ZINC000019907450
ZINC000019907452

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Available files

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