Vitas-M small molecule compound
(E)-{2-(4-hydroxy-3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STK561195
SMILES COc1cc(ccc1O)C1/C(=C(/c2ccc(c(c2)C)OCC(C)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
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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 C30H38N2O7 MW 538.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O7/c1-19(2)18-39-24-9-7-22(16-20(24)3)28(34)26-27(21-6-8-23(33)25(17-21)37-4)32(30(36)29(26)35)11-5-10-31-12-14-38-15-13-31/h6-9,16-17,19,27,33-34H,5,10-15,18H2,1-4H3/b28-26+InChIKey
BTIBIDJRYNUXIB-BYCLXTJYSA-NSynonyms
497864-45-6(4E)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4hydroxy3methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(2(4HYDROXY3METHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
497864456
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=C(C=C4)O)OC)(O))OCC(C)C
COc1cc(ccc1O)C1C(=C(c2ccc(c(c2)C)OCC(C)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC30H38N2O7c119(2)1839249722(1620(24)3)28(34)2627(216823(33)25(1721)374)32(30(36)29(26)35)1151031121438151331h69161719273334H5101518H214H3b2826+
MFCD18243726
ZINC000102502121
ZINC000102502129
Check stock
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Check stock on Vitas-MAvailable files
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