Vitas-M small molecule compound
(E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STL148526
SMILES C=CCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)OC(C)C)N(C(=O)C1=O)CCC[NH+]1CCOCC1)/[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/c1-4-18-37-24-10-8-23(9-11-24)28(33)26-27(22-6-12-25(13-7-22)38-21(2)3)32(30(35)29(26)34)15-5-14-31-16-19-36-20-17-31/h4,6-13,21,27,33H,1,5,14-20H2,2-3H3/b28-26+InChIKey
URWXWPHVBBGWBZ-BYCLXTJYSA-NSynonyms
836645-17-1(4E)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4PROPAN2YLOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(morpholin4ium4yl)propyl)45dioxo2(4(propan2yloxy)phenyl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
(E)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(4PROPAN2YLOXYPHENYL)PYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
836645171
C=CCOc1ccc(cc1)C(=C1C(c2ccc(cc2)OC(C)C)N(C(=O)C1=O)CCC(NH+)1CCOCC1)(O)
CC(C)OC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
InChI=1SC30H36N2O6c1418372410823(91124)28(33)2627(2261225(13722)3821(2)3)32(30(35)29(26)34)1551431161936201731h4613212733H151420H223H3b2826+
MFCD20755411
ZINC000101288304
ZINC000101288308
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.