Vitas-M small molecule compound

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

Catalog ID
STL047146
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

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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/c1-6-16-33-22-9-7-8-20(17-22)24-23(26(31)27(32)29(24)15-14-28(4)5)25(30)19-10-12-21(13-11-19)34-18(2)3/h6-13,17-18,24,30H,1,14-16H2,2-5H3/b25-23+
InChIKey
RYAHZGUPTUJLBS-WJTDDFOZSA-N
Synonyms
845902-45-6
(4E)1(2(dimethylamino)ethyl)4(hydroxy(4propan2yloxyphenyl)methylidene)5(3prop2enoxyphenyl)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(3PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)3HYDROXY4((4(METHYLETHOXY)PHENYL)CARBONYL)5(3PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
845902456
C=CCOc1cccc(c1)C1C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C(=O)N1CC(NH+)(C)C
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=CC=C3)OCC=C)O
InChI=1SC27H32N2O5c1616332297820(1722)2423(26(31)27(32)29(24)151428(4)5)25(30)19101221(131119)3418(2)3h61317182430H11416H225H3b2523+
MFCD18249004
ZINC000101313447
ZINC000101313453

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Available files

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