Vitas-M small molecule compound

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

Catalog ID
STK855518
SMILES O=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])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 C26H24N4O5 MW 472.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O5/c31-23(28-16-14-27(15-17-28)19-9-11-20(12-10-19)30(34)35)8-3-13-29-25(32)21-6-1-4-18-5-2-7-22(24(18)21)26(29)33/h1-2,4-7,9-12H,3,8,13-17H2
InChIKey
QMRFSXVMOVFSFJ-UHFFFAOYSA-N
Synonyms
442557-52-0
2(4(4(4nitrophenyl)piperazin1yl)4oxobutyl)1Hbenzo(de)isoquinoline13(2H)dione
2(4(4(4NITROPHENYL)PIPERAZIN1YL)4OXOBUTYL)BENZO(DE)ISOQUINOLINE13DIONE
442557520
C1CN(CCN1C2=CC=C(C=C2)(N+)(=O)(O))C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI=1SC26H24N4O5c3123(28161427(151728)1991120(121019)30(34)35)83132925(32)216141852722(24(18)21)26(29)33h1247912H381317H2
MFCD03288838
O=C(N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))CCCn1c(=O)c2cccc3c2c(c1=O)ccc3
ZINC000008744548
ZINC08744548
ZINC8744548

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Available files

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