Vitas-M small molecule compound

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

Catalog ID
STL149684
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CC[NH+](CC)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 C26H29ClN2O4 MW 468.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN2O4/c1-4-16-33-21-9-7-8-19(17-21)23-22(24(30)18-10-12-20(27)13-11-18)25(31)26(32)29(23)15-14-28(5-2)6-3/h4,7-13,17,23,30H,1,5-6,14-16H2,2-3H3/b24-22+
InChIKey
IRQUATUPDYHYMQ-ZNTNEXAZSA-N
Synonyms
614747-88-5
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(2DIETHYLAMINOETHYL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(1(2(diethylammonio)ethyl)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2(3PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
1(2(DIETHYLAMINO)ETHYL)4((4CHLOROPHENYL)CARBONYL)3HYDROXY5(3PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
614747885
C=CCOc1cccc(c1)C1C(=C(c2ccc(cc2)Cl)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)Cl)(O))C(=O)C1=O)C3=CC(=CC=C3)OCC=C
InChI=1SC26H29ClN2O4c1416332197819(1721)2322(24(30)18101220(27)131118)25(31)26(32)29(23)151428(52)63h4713172330H1561416H223H3b2422+
MFCD20755655
ZINC000009234220
ZINC000009234223

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Available files

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