Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate

Catalog ID
STK569147
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CC[NH+](CC)CC)/[O-]

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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/c1-6-17-36-21-12-9-19(10-13-21)26(31)24-25(20-11-14-22(34-4)23(18-20)35-5)30(28(33)27(24)32)16-15-29(7-2)8-3/h9-14,18,25,31H,6-8,15-17H2,1-5H3/b26-24+
InChIKey
FLJARTPBZVJHPY-SHHOIMCASA-N
Synonyms
848060-82-2
(4E)1(2DIETHYLAMINOETHYL)5(34DIMETHOXYPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(34dimethoxyphenyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(34DIMETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
848060822
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(CC)CC)C3=CC(=C(C=C3)OC)OC)(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CC(NH+)(CC)CC)(O)
InChI=1SC28H36N2O6c1617362112919(101321)26(31)2425(20111422(344)23(1820)355)30(28(33)27(24)32)161529(72)83h914182531H681517H215H3b2624+
MFCD18245271
ZINC000102555921
ZINC000102555930

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Available files

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