Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Catalog ID
STL045203
SMILES COc1ccccc1C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1cccs1)/[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 C22H26N2O4S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S/c1-4-23(5-2)12-13-24-19(15-9-6-7-10-16(15)28-3)18(21(26)22(24)27)20(25)17-11-8-14-29-17/h6-11,14,19,25H,4-5,12-13H2,1-3H3/b20-18+InChIKey
HPEUESJMOIDJHL-CZIZESTLSA-NSynonyms
(E)(1(2(diethylammonio)ethyl)2(2methoxyphenyl)45dioxopyrrolidin3ylidene)(thiophen2yl)methanolate
COc1ccccc1C1N(CC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1cccs1)(O)
MFCD18248590
ZINC000102877166
ZINC000102877169
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