Vitas-M small molecule compound

2-{4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK806708
SMILES O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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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 C28H27N3O5 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O5/c32-25(30-14-12-29(13-15-30)17-19-9-10-23-24(16-19)36-18-35-23)8-3-11-31-27(33)21-6-1-4-20-5-2-7-22(26(20)21)28(31)34/h1-2,4-7,9-10,16H,3,8,11-15,17-18H2
InChIKey
KSYIAPRQSZRZDK-UHFFFAOYSA-N
Synonyms

2(4(4(13benzodioxol5ylmethyl)piperazin1yl)4oxobutyl)1Hbenzo(de)isoquinoline13(2H)dione
2(4(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)4OXOBUTYL)BENZO(DE)ISOQUINOLINE13DIONE
2(4(4BENZO(13)DIOXOL5YLMETHYLPIPERAZIN1YL)4OXOBUTYL)BENZO(DE)ISOQUINOLINE13DIONE
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC28H27N3O5c3225(30141229(131530)17199102324(1619)36183523)83113127(33)216142052722(26(20)21)28(31)34h124791016H3811151718H2
MFCD01795273
ZINC000019774699
ZINC19774699

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Available files

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