Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-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
STK562711
SMILES CCOc1cc(ccc1OCC)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 C30H36N2O7 MW 536.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O7/c1-4-37-24-9-6-20(18-25(24)38-5-2)27-26(28(33)21-7-8-23-22(17-21)16-19(3)39-23)29(34)30(35)32(27)11-10-31-12-14-36-15-13-31/h6-9,17-19,27,33H,4-5,10-16H2,1-3H3/b28-26+InChIKey
LQWSTLZAOATADQ-BYCLXTJYSA-NSynonyms
845904-33-8(4E)5(34DIETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(34DIETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
845904338
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CC(NH+)5CCOCC5)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC30H36N2O7c1437249620(1825(24)3852)2726(28(33)21782322(1721)1619(3)3923)29(34)30(35)32(27)111031121436151331h6917192733H451016H213H3b2826+
MFCD18244106
ZINC000102514815
ZINC000102645539
Check stock
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