Vitas-M small molecule compound
2-(2-{4-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK840399
SMILES COc1cc(/C=C/C(=O)N2CCN(CC2)CCn2c(=O)c3cccc4c3c(c2=O)ccc4)cc(c1OC)OC
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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 C30H31N3O6 MW 529.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O6/c1-37-24-18-20(19-25(38-2)28(24)39-3)10-11-26(34)32-15-12-31(13-16-32)14-17-33-29(35)22-8-4-6-21-7-5-9-23(27(21)22)30(33)36/h4-11,18-19H,12-17H2,1-3H3/b11-10+InChIKey
ZDRAHHVOFGFZTC-ZHACJKMWSA-NSynonyms
326882-01-3(E)2(2(4(3(345trimethoxyphenyl)acryloyl)piperazin1yl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(4((2E)3(345trimethoxyphenyl)prop2enoyl)piperazin1yl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(4((E)3(345TRIMETHOXYPHENYL)PROP2ENOYL)PIPERAZIN1YL)ETHYL)BENZO(DE)ISOQUINOLINE13DIONE
326882013
COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
COc1cc(C=CC(=O)N2CCN(CC2)CCn2c(=O)c3cccc4c3c(c2=O)ccc4)cc(c1OC)OC
InChI=1SC30H31N3O6c137241820(1925(382)28(24)393)101126(34)32151231(131632)14173329(35)228462175923(27(21)22)30(33)36h4111819H1217H213H3b1110+
MFCD02658229
ZINC000020029172
ZINC20029172
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.