Vitas-M small molecule compound

(E)-[4-(benzyloxy)-3-methylphenyl]{2-(4-chlorophenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STL045384
SMILES CC[NH+](CCN1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(c(c2)C)OCc2ccccc2)\[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 C31H33ClN2O4 MW 533.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33ClN2O4/c1-4-33(5-2)17-18-34-28(23-11-14-25(32)15-12-23)27(30(36)31(34)37)29(35)24-13-16-26(21(3)19-24)38-20-22-9-7-6-8-10-22/h6-16,19,28,35H,4-5,17-18,20H2,1-3H3/b29-27+
InChIKey
NMSQRINPWNGCEN-ORIPQNMZSA-N
Synonyms
488861-84-3
(4E)5(4CHLOROPHENYL)1(2DIETHYLAMINOETHYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4CHLOROPHENYL)1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(2(4chlorophenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)methanolate
488861843
CC(NH+)(CC)CCN1C(C(=C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)C)(O))C(=O)C1=O)C4=CC=C(C=C4)Cl
CC(NH+)(CCN1C(c2ccc(cc2)Cl)C(=C(c2ccc(c(c2)C)OCc2ccccc2)(O))C(=O)C1=O)CC
InChI=1SC31H33ClN2O4c1433(52)17183428(23111425(32)151223)27(30(36)31(34)37)29(35)24131626(21(3)1924)38202297681022h616192835H45171820H213H3b2927+
MFCD18248626
ZINC000102878292
ZINC000102878295

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Available files

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