Vitas-M small molecule compound
(E)-{2-(3-ethoxy-4-propoxyphenyl)-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
STK566225
SMILES CCCOc1ccc(cc1OCC)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 C31H38N2O7 MW 550.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2O7/c1-4-14-39-25-9-6-21(19-26(25)38-5-2)28-27(29(34)22-7-8-24-23(18-22)17-20(3)40-24)30(35)31(36)33(28)11-10-32-12-15-37-16-13-32/h6-9,18-20,28,34H,4-5,10-17H2,1-3H3/b29-27+InChIKey
NNIJVOBZKTYXEV-ORIPQNMZSA-NSynonyms
(4E)5(3ETHOXY4PROPOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(3ethoxy4propoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3ETHOXY4PROPOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCN5CCOCC5)OCC
CCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC31H38N2O7c141439259621(1926(25)3852)2827(29(34)22782423(1822)1720(3)4024)30(35)31(36)33(28)111032121537161332h6918202834H451017H213H3b2927+
MFCD18244977
ZINC000102540480
ZINC000102649989
Check stock
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