Vitas-M small molecule compound

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

Catalog ID
STK565548
SMILES C=CCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[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 C30H36N2O5 MW 504.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O5/c1-5-17-36-24-12-9-21(10-13-24)27-26(28(33)22-11-14-25-23(19-22)18-20(4)37-25)29(34)30(35)32(27)16-8-15-31(6-2)7-3/h5,9-14,19-20,27,33H,1,6-8,15-18H2,2-4H3/b28-26+
InChIKey
LWKJMOFLZXLZHX-BYCLXTJYSA-N
Synonyms
587009-75-4
(4E)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(4PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(4(prop2en1yloxy)phenyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
587009754
C=CCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)(O))C(=O)C1=O)C4=CC=C(C=C4)OCC=C
InChI=1SC30H36N2O5c1517362412921(101324)2726(28(33)2211142523(1922)1820(4)3725)29(34)30(35)32(27)1681531(62)73h591419202733H1681518H224H3b2826+
MFCD18244816
ZINC000009312261
ZINC000009312264

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Available files

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