Vitas-M small molecule compound
(E)-{2-(4-butoxy-3-ethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL053071
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[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 C31H38N2O8 MW 566.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2O8/c1-3-5-14-39-23-8-6-21(19-25(23)38-4-2)28-27(29(34)22-7-9-24-26(20-22)41-18-17-40-24)30(35)31(36)33(28)11-10-32-12-15-37-16-13-32/h6-9,19-20,28,34H,3-5,10-18H2,1-2H3/b29-27+InChIKey
OREWEKAAGKHTBG-ORIPQNMZSA-NSynonyms
(4E)5(4BUTOXY3ETHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4butoxy3ethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(4BUTOXY3ETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCN5CCOCC5)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC31H38N2O8c1351439238621(1925(23)3842)2827(29(34)22792426(2022)4118174024)30(35)31(36)33(28)111032121537161332h6919202834H351018H212H3b2927+
MFCD18249510
ZINC000102893036
ZINC000102893038
Check stock
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