Vitas-M small molecule compound

(E)-{1-[3-(dimethylammonio)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate

Catalog ID
STK565905
SMILES CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

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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 C28H36N2O6 MW 496.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O6/c1-7-35-22-14-11-20(17-23(22)34-6)25-24(27(32)28(33)30(25)16-8-15-29(4)5)26(31)19-9-12-21(13-10-19)36-18(2)3/h9-14,17-18,25,31H,7-8,15-16H2,1-6H3/b26-24+
InChIKey
JDNAMVRZEXJOTC-SHHOIMCASA-N
Synonyms
638134-82-4
(E)(1(3(dimethylammonio)propyl)2(4ethoxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
638134824
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC(C)C)O)C(=O)C(=O)N2CCCN(C)C)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC28H36N2O6c173522141120(1723(22)346)2524(27(32)28(33)30(25)1681529(4)5)26(31)1991221(131019)3618(2)3h91417182531H781516H216H3b2624+
MFCD09789784
ZINC000008902859
ZINC000008902863

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Available files

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