Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Catalog ID
STL045318
SMILES CCOc1ccc(cc1)C1N(CCC[NH+](C)C)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 C23H29N3O4S MW 443.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O4S/c1-6-30-17-10-8-16(9-11-17)19-18(20(27)22-14(2)24-15(3)31-22)21(28)23(29)26(19)13-7-12-25(4)5/h8-11,19,27H,6-7,12-13H2,1-5H3/b20-18+InChIKey
POCMJFXEIIEEAA-CZIZESTLSA-NSynonyms
(E)(1(3(dimethylammonio)propyl)2(4ethoxyphenyl)45dioxopyrrolidin3ylidene)(24dimethyl13thiazol5yl)methanolate
CCOc1ccc(cc1)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1sc(nc1C)C)(O)
MFCD18248612
ZINC000008837950
ZINC000008903918
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