Vitas-M small molecule compound

(E)-{2-(3-ethoxy-4-hydroxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate

Catalog ID
STK566627
SMILES CCOc1cc(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 C31H40N2O7 MW 552.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O7/c1-5-39-26-18-22(7-9-24(26)34)28-27(29(35)23-8-10-25(21(4)17-23)40-19-20(2)3)30(36)31(37)33(28)12-6-11-32-13-15-38-16-14-32/h7-10,17-18,20,28,34-35H,5-6,11-16,19H2,1-4H3/b29-27+
InChIKey
AXYHWDORAHAXEV-ORIPQNMZSA-N
Synonyms

(4E)5(3ETHOXY4HYDROXYPHENYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3ethoxy4hydroxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(2(3ETHOXY4HYDROXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
5(3ETHOXY4HYDROXYPHENYL)3HYDROXY4(4ISOBUTOXY3METHYLBENZOYL)1(3MORPHOLIN4YLPROPYL)15DIHYDRO2HPYRROL2ONE
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC(=C(C=C3)OCC(C)C)C)O)C(=O)C(=O)N2CCCN4CCOCC4)O
CCOc1cc(ccc1O)C1C(=C(c2ccc(c(c2)C)OCC(C)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC31H40N2O7c1539261822(7924(26)34)2827(29(35)2381025(21(4)1723)401920(2)3)30(36)31(37)33(28)1261132131538161432h710171820283435H56111619H214H3b2927+
MFCD18245071
ZINC000102542911
ZINC000102542917

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Available files

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