Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate

Catalog ID
STK565956
SMILES CC[NH+](CCN1C(c2ccccc2)/C(=C(/c2ccc(c(c2)C)OCC(C)C)\[O-])/C(=O)C1=O)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 C28H36N2O4 MW 464.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O4/c1-6-29(7-2)15-16-30-25(21-11-9-8-10-12-21)24(27(32)28(30)33)26(31)22-13-14-23(20(5)17-22)34-18-19(3)4/h8-14,17,19,25,31H,6-7,15-16,18H2,1-5H3/b26-24+
InChIKey
VDXHLUMPQHGGOP-SHHOIMCASA-N
Synonyms
487037-44-5
(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5PHENYLPYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2phenylpyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
487037445
CC(NH+)(CC)CCN1C(C(=C(C2=CC(=C(C=C2)OCC(C)C)C)(O))C(=O)C1=O)C3=CC=CC=C3
CC(NH+)(CCN1C(c2ccccc2)C(=C(c2ccc(c(c2)C)OCC(C)C)(O))C(=O)C1=O)CC
InChI=1SC28H36N2O4c1629(72)15163025(211198101221)24(27(32)28(30)33)26(31)22131423(20(5)1722)341819(3)4h81417192531H67151618H215H3b2624+
MFCD18244907
ZINC000009186522
ZINC000009186523

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.