Vitas-M small molecule compound

(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate

Catalog ID
STL044259
SMILES CCCOc1ccc(cc1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCC=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 C27H32N2O5 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O5/c1-5-17-33-21-11-7-19(8-12-21)24-23(26(31)27(32)29(24)16-15-28(3)4)25(30)20-9-13-22(14-10-20)34-18-6-2/h6-14,24,30H,2,5,15-18H2,1,3-4H3/b25-23+
InChIKey
NYFUAXRVYNHVED-WJTDDFOZSA-N
Synonyms
636991-98-5
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)5(4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(4propoxyphenyl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(4PROPOXYPHENYL)PYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)3HYDROXY4((4PROP2ENYLOXYPHENYL)CARBONYL)5(4PROPOXYPHENYL)3PYRROLIN2ONE
636991985
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)(O))C(=O)C(=O)N2CC(NH+)(C)C
CCCOc1ccc(cc1)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1)OCC=C)(O)
InChI=1SC27H32N2O5c1517332111719(81221)2423(26(31)27(32)29(24)161528(3)4)25(30)2091322(141020)341862h6142430H251518H2134H3b2523+
MFCD18248381
ZINC000009041749
ZINC000009041753

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Available files

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