Vitas-M small molecule compound
(E)-{2-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Catalog ID
STK565170
SMILES COc1ccc(cc1C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1cccs1)/[O-])OC
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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 C23H23N3O5S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5S/c1-30-15-6-7-17(31-2)16(13-15)20-19(21(27)18-5-3-12-32-18)22(28)23(29)26(20)10-4-9-25-11-8-24-14-25/h3,5-8,11-14,20,27H,4,9-10H2,1-2H3/b21-19+InChIKey
SSZMATPJBVERTN-XUTLUUPISA-NSynonyms
(E)(2(25dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(thiophen2yl)methanolate
COc1ccc(cc1C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1cccs1)(O))OC
MFCD18244707
ZINC000102533078
ZINC000102533087
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