Vitas-M small molecule compound
(E)-{2-(3-butoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL039149
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[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 C30H36N2O6 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O6/c1-3-4-14-37-24-7-5-6-21(19-24)27-26(28(33)22-8-9-25-23(18-22)17-20(2)38-25)29(34)30(35)32(27)11-10-31-12-15-36-16-13-31/h5-9,18-20,27,33H,3-4,10-17H2,1-2H3/b28-26+InChIKey
QAEYUALPGVZKLO-BYCLXTJYSA-NSynonyms
844823-09-2(4E)5(3BUTOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(3butoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3BUTOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
844823092
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCN5CCOCC5
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC30H36N2O6c13414372475621(1924)2726(28(33)22892523(1822)1720(2)3825)29(34)30(35)32(27)111031121536161331h5918202733H341017H212H3b2826+
MFCD18247781
ZINC000009353479
ZINC000009353493
Check stock
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Check stock on Vitas-MAvailable files
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