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Vitas-M small molecule compound

ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-chromene-2-carboxylate

Catalog ID
STK888403
SMILES CCOC(=O)c1oc2c(CN3CCN(CC3)C)c(O)c(cc2c(=O)c1c1ccc2c(c1)OCCO2)CC

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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 C28H32N2O7 MW 508.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O7/c1-4-17-14-19-25(32)23(18-6-7-21-22(15-18)36-13-12-35-21)27(28(33)34-5-2)37-26(19)20(24(17)31)16-30-10-8-29(3)9-11-30/h6-7,14-15,31H,4-5,8-13,16H2,1-3H3
InChIKey
NBKFPCFVEQMJRK-UHFFFAOYSA-N
Synonyms
610759-62-1
3(23DIHYDRO14BENZODIOXIN6YL)2ETHOXYCARBONYL6ETHYL8((4METHYLPIPERAZIN1IUM1YL)METHYL)4OXOCHROMEN7OLATE
3(23DIHYDROBENZO(14)DIOXIN6YL)6ETHYL7HYDROXY8(4METHYLPIPERAZIN1YLMETHYL)4OXO4HCHROMENE2CARBOXYLICACIDETHYLESTER
610759621
CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CC4=C(C=C3)OCCO4)CN5CCN(CC5)C)O
ethyl3(23dihydro14benzodioxin6yl)6ethyl7hydroxy8((4methylpiperazin1yl)methyl)4oxo4Hchromene2carboxylate
ETHYL3(23DIHYDRO14BENZODIOXIN6YL)6ETHYL7HYDROXY8((4METHYLPIPERAZIN1YL)METHYL)4OXOCHROMENE2CARBOXYLATE
ethyl3(23dihydrobenzo(b)(14)dioxin6yl)6ethyl7hydroxy8((4methylpiperazin1yl)methyl)4oxo4Hchromene2carboxylate
ETHYL3(2H3HBENZO(34E)14DIOXAN6YL)6ETHYL7HYDROXY8((4METHYLPIPERAZINYL)METHYL)4OXOCHROMENE2CARBOXYLATE
InChI=1SC28H32N2O7c1417141925(32)23(18672122(1518)3613123521)27(28(33)3452)3726(19)20(24(17)31)163010829(3)91130h67141531H4581316H213H3
MFCD03671281
ZINC000020170624
ZINC20170624

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Available files

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