Vitas-M small molecule compound
(E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STK565319
SMILES CCCOc1ccc(cc1)C1N(CCC[NH+]2CCOCC2)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 C30H36N2O6 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O6/c1-3-18-37-24-10-6-22(7-11-24)27-26(28(33)23-8-12-25(13-9-23)38-19-4-2)29(34)30(35)32(27)15-5-14-31-16-20-36-21-17-31/h4,6-13,27,33H,2-3,5,14-21H2,1H3/b28-26+InChIKey
GDWATVHBSGBPSN-BYCLXTJYSA-NSynonyms
636992-20-6(4E)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(morpholin4ium4yl)propyl)45dioxo2(4propoxyphenyl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
(E)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(4PROPOXYPHENYL)PYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
636992206
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)O)C(=O)C(=O)N2CCCN4CCOCC4
CCCOc1ccc(cc1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1)OCC=C)(O)
InChI=1SC30H36N2O6c1318372410622(71124)2726(28(33)2381225(13923)381942)29(34)30(35)32(27)1551431162036211731h46132733H2351421H21H3b2826+
MFCD18244747
ZINC000009176220
ZINC000009176223
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.