Vitas-M small molecule compound

(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK568342
SMILES CCOc1cc(ccc1OCCC(C)C)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 C32H40N2O8 MW 580.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N2O8/c1-4-39-26-19-22(5-7-24(26)40-14-9-21(2)3)29-28(30(35)23-6-8-25-27(20-23)42-18-17-41-25)31(36)32(37)34(29)11-10-33-12-15-38-16-13-33/h5-8,19-21,29,35H,4,9-18H2,1-3H3/b30-28+
InChIKey
CXNLWTQMRNUFRN-SJCQXOIGSA-N
Synonyms

(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(3ethoxy4(3methylbutoxy)phenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(3ETHOXY4(3METHYLBUTOXY)PHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC(NH+)5CCOCC5)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC32H40N2O8c1439261922(5724(26)4014921(2)3)2928(30(35)23682527(2023)4218174125)31(36)32(37)34(29)111033121538161333h5819212935H4918H213H3b3028+
MFCD18245225
ZINC000102551862
ZINC000102551869

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Available files

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