Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL045335
SMILES COc1cc(cc(c1OC)OC)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCc1ccccc1)/[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 C35H40N2O8 MW 616.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N2O8/c1-23-19-25(11-12-27(23)45-22-24-9-6-5-7-10-24)32(38)30-31(26-20-28(41-2)34(43-4)29(21-26)42-3)37(35(40)33(30)39)14-8-13-36-15-17-44-18-16-36/h5-7,9-12,19-21,31,38H,8,13-18,22H2,1-4H3/b32-30+InChIKey
HCPVEMDHRZIZQQ-NHQGMKOOSA-NSynonyms
(4E)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(3METHYL4PHENYLMETHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
4(4(BENZYLOXY)3METHYLBENZOYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)5(345TRIMETHOXYPHENYL)15DIHYDRO2HPYRROL2ONE
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC(=C(C(=C4)OC)OC)OC)O)OCC5=CC=CC=C5
COc1cc(cc(c1OC)OC)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCc1ccccc1)(O)
InChI=1SC35H40N2O8c1231925(111227(23)45222496571024)32(38)3031(262028(412)34(434)29(2126)423)37(35(40)33(30)39)1481336151744181636h5791219213138H8131822H214H3b3230+
MFCD18248619
ZINC000102877575
ZINC000102877579
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