Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL044662
SMILES COC(=O)c1ccc(cc1)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 C33H31N3O6 MW 565.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O6/c1-22-6-3-4-7-26(22)20-42-27-14-12-24(13-15-27)30(37)28-29(23-8-10-25(11-9-23)33(40)41-2)36(32(39)31(28)38)18-5-17-35-19-16-34-21-35/h3-4,6-16,19,21,29,37H,5,17-18,20H2,1-2H3/b30-28+InChIKey
ZPCOWYFGCHHAAP-SJCQXOIGSA-NSynonyms
(E)(1(3(1Himidazol3ium1yl)propyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
COC(=O)c1ccc(cc1)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1ccc(cc1)OCc1ccccc1C)(O)
MFCD18248462
ZINC000102875394
ZINC000102875397
Check stock
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Check stock on Vitas-MAvailable files
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