Vitas-M small molecule compound
(E)-{2-(3,4-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Catalog ID
STK566098
SMILES COc1cc(ccc1OC)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1sc(nc1C)C)/[O-]
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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 C25H31N3O6S MW 501.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O6S/c1-15-24(35-16(2)26-15)22(29)20-21(17-6-7-18(32-3)19(14-17)33-4)28(25(31)23(20)30)9-5-8-27-10-12-34-13-11-27/h6-7,14,21,29H,5,8-13H2,1-4H3/b22-20+InChIKey
XRGABPIROGJINW-LSDHQDQOSA-NSynonyms
(E)(2(34dimethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(24dimethyl13thiazol5yl)methanolate
COc1cc(ccc1OC)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1sc(nc1C)C)(O)
MFCD18244947
ZINC000102539587
ZINC000102539596
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