Vitas-M small molecule compound

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

Catalog ID
STK149925
SMILES Oc1nc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)nc2c1cccc2

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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 C21H22N4O3 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3/c26-21-16-3-1-2-4-17(16)22-20(23-21)13-25-9-7-24(8-10-25)12-15-5-6-18-19(11-15)28-14-27-18/h1-6,11H,7-10,12-14H2,(H,22,23,26)
InChIKey
ACLJJFRJGODIAV-UHFFFAOYSA-N
Synonyms
517869-87-3
2((4(13BENZODIOXOL5YLMETHYL)1PIPERAZINYL)METHYL)4QUINAZOLINOL
2((4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1IUM1YL)METHYL)QUINAZOLIN4OLATE
2((4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)METHYL)1HQUINAZOLIN4ONE
2((4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)METHYL)QUINAZOLIN4(1H)ONE
2((4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)METHYL)QUINAZOLIN4OL
2((4(2HBENZO(34D)13DIOXOLAN5YLMETHYL)PIPERAZINYL)METHYL)HYDROQUINAZOLIN4ONE
2((4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)methyl)quinazolin4ol
517869873
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC(=O)C5=CC=CC=C5N4
InChI=1SC21H22N4O3c262116312417(16)2220(2321)13259724(81025)1215561819(1115)28142718h1611H7101214H2(H222326)
ZINC22933361

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Available files

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