Vitas-M small molecule compound

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

Catalog ID
STK806639
SMILES COc1ccc(cc1)/C=C/C(=O)N1CCN(CC1)CCn1c(=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 C28H27N3O4 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O4/c1-35-22-11-8-20(9-12-22)10-13-25(32)30-17-14-29(15-18-30)16-19-31-27(33)23-6-2-4-21-5-3-7-24(26(21)23)28(31)34/h2-13H,14-19H2,1H3/b13-10+
InChIKey
CRMKZUWKJKPVBV-JLHYYAGUSA-N
Synonyms
324044-81-7
2(2(4((2E)3(4methoxyphenyl)prop2enoyl)piperazin1yl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(4((E)3(4METHOXYPHENYL)PROP2ENOYL)PIPERAZIN1YL)ETHYL)BENZO(DE)ISOQUINOLINE13DIONE
324044817
COC1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
COc1ccc(cc1)C=CC(=O)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3
InChI=1SC28H27N3O4c1352211820(91222)101325(32)30171429(151830)16193127(33)236242153724(26(21)23)28(31)34h213H1419H21H3b1310+
MFCD01166102
ZINC000019758260
ZINC19758260

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Available files

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