Vitas-M small molecule compound

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

Catalog ID
STL046605
SMILES C=CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CCC[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 C27H31ClN2O4 MW 483.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31ClN2O4/c1-4-18-34-22-14-10-19(11-15-22)24-23(25(31)20-8-12-21(28)13-9-20)26(32)27(33)30(24)17-7-16-29(5-2)6-3/h4,8-15,24,31H,1,5-7,16-18H2,2-3H3/b25-23+
InChIKey
WHJHQKBCSUXEGH-WJTDDFOZSA-N
Synonyms
636989-06-5
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(3(DIETHYLAMINO)PROPYL)5(4PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(1(3(diethylammonio)propyl)45dioxo2(4(prop2en1yloxy)phenyl)pyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)4((4CHLOROPHENYL)CARBONYL)3HYDROXY5(4PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
636989065
C=CCOc1ccc(cc1)C1C(=C(c2ccc(cc2)Cl)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
CC(NH+)(CC)CCCN1C(C(=C(C2=CC=C(C=C2)Cl)(O))C(=O)C1=O)C3=CC=C(C=C3)OCC=C
InChI=1SC27H31ClN2O4c14183422141019(111522)2423(25(31)2081221(28)13920)26(32)27(33)30(24)1771629(52)63h48152431H1571618H223H3b2523+
MFCD18248884
ZINC000009184924
ZINC000009184925

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Available files

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