Vitas-M small molecule compound
(E)-{2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STK560172
SMILES COc1cc(ccc1OC)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1ccccc1C)/[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 C33H33N3O6 MW 567.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O6/c1-22-7-4-5-8-25(22)20-42-26-12-9-23(10-13-26)31(37)29-30(24-11-14-27(40-2)28(19-24)41-3)36(33(39)32(29)38)17-6-16-35-18-15-34-21-35/h4-5,7-15,18-19,21,30,37H,6,16-17,20H2,1-3H3/b31-29+InChIKey
LBTYLUQSENKLSP-OWWNRXNESA-NSynonyms
(E)(2(34dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolateCOc1cc(ccc1OC)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1ccc(cc1)OCc1ccccc1C)(O)
Registry IDs
MFCD18243464ZINC000102493600
ZINC000102493610
Check stock
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Check stock on Vitas-MAvailable files
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