Vitas-M small molecule compound

2-[(1-{[(E)-2-phenylethenyl]sulfonyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK806808
SMILES O=c1n(CC2CCN(CC2)S(=O)(=O)/C=C/c2ccccc2)c(=O)c2c3c1cccc3ccc2

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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 C26H24N2O4S MW 460.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O4S/c29-25-22-10-4-8-21-9-5-11-23(24(21)22)26(30)28(25)18-20-12-15-27(16-13-20)33(31,32)17-14-19-6-2-1-3-7-19/h1-11,14,17,20H,12-13,15-16,18H2/b17-14+
InChIKey
OQIPVORVUNUSQS-SAPNQHFASA-N
Synonyms
326882-04-6
(E)2((1(styrylsulfonyl)piperidin4yl)methyl)1Hbenzo(de)isoquinoline13(2H)dione
2((1(((E)2phenylethenyl)sulfonyl)piperidin4yl)methyl)1Hbenzo(de)isoquinoline13(2H)dione
2((1((2PHENYLVINYL)SULFONYL)4PIPERIDINYL)METHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2((1((E)2PHENYLETHENYL)SULFONYLPIPERIDIN4YL)METHYL)BENZO(DE)ISOQUINOLINE13DIONE
326882046
C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)C=CC5=CC=CC=C5
InChI=1SC26H24N2O4Sc292522104821951123(24(21)22)26(30)28(25)1820121527(161320)33(3132)1714196213719h111141720H1213151618H2b1714+
MFCD02658232
O=c1n(CC2CCN(CC2)S(=O)(=O)C=Cc2ccccc2)c(=O)c2c3c1cccc3ccc2
ZINC000008431728
ZINC08431728
ZINC8431728

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Available files

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