Vitas-M small molecule compound

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

Catalog ID
STL056983
SMILES COc1c(OC)cccc1C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC(C)C)/[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/c1-7-29(8-2)16-17-30-24(21-10-9-11-22(34-5)27(21)35-6)23(26(32)28(30)33)25(31)19-12-14-20(15-13-19)36-18(3)4/h9-15,18,24,31H,7-8,16-17H2,1-6H3/b25-23+
InChIKey
QQDDQSLMFFXNAR-WJTDDFOZSA-N
Synonyms
847034-92-8
(4E)1(2DIETHYLAMINOETHYL)5(23DIMETHOXYPHENYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(23dimethoxyphenyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(23DIMETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
847034928
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)OC(C)C)(O))C(=O)C1=O)C3=C(C(=CC=C3)OC)OC
COc1c(OC)cccc1C1N(CC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc(cc1)OC(C)C)(O)
InChI=1SC28H36N2O6c1729(82)16173024(211091122(345)27(21)356)23(26(32)28(30)33)25(31)19121420(151319)3618(3)4h915182431H781617H216H3b2523+
MFCD18249781
ZINC000009329000
ZINC000009329001

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Available files

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