Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(3,4-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK563408
SMILES COc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[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 C28H32N2O8 MW 524.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O8/c1-34-20-6-4-18(16-22(20)35-2)25-24(26(31)19-5-7-21-23(17-19)38-15-14-37-21)27(32)28(33)30(25)9-3-8-29-10-12-36-13-11-29/h4-7,16-17,25,31H,3,8-15H2,1-2H3/b26-24+InChIKey
SIQIIUCHWMPUNP-SHHOIMCASA-NSynonyms
618409-60-2(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(34DIMETHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(34dimethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(34DIMETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)5(34DIMETHOXYPHENYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
618409602
COC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CCC(NH+)5CCOCC5)OC
COc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC28H32N2O8c134206418(1622(20)352)2524(26(31)19572123(1719)3815143721)27(32)28(33)30(25)93829101236131129h4716172531H3815H212H3b2624+
MFCD18244290
ZINC000009375193
ZINC000009375196
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