Vitas-M small molecule compound

2-(2-{4-[(2E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK806736
SMILES O=C(N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)/C=C/c1ccco1

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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 C25H23N3O4 MW 429.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4/c29-22(10-9-19-6-3-17-32-19)27-14-11-26(12-15-27)13-16-28-24(30)20-7-1-4-18-5-2-8-21(23(18)20)25(28)31/h1-10,17H,11-16H2/b10-9+
InChIKey
MTIRFOKLWNTEMU-MDZDMXLPSA-N
Synonyms
325693-99-0
2(2(4((2E)3(furan2yl)prop2enoyl)piperazin1yl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(4((E)3(FURAN2YL)PROP2ENOYL)PIPERAZIN1YL)ETHYL)BENZO(DE)ISOQUINOLINE13DIONE
2(2(4(3(2FURYL)ACRYLOYL)1PIPERAZINYL)ETHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
325693990
C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C=CC5=CC=CO5
InChI=1SC25H23N3O4c2922(1091963173219)27141126(121527)13162824(30)207141852821(23(18)20)25(28)31h11017H1116H2b109+
MFCD01925747
O=C(N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)C=Cc1ccco1
ZINC000019901675
ZINC19901675

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Available files

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