Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STK565065
SMILES COC(=O)c1ccc(cc1)C1N(CC[NH+](C)C)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 C31H32N2O6 MW 528.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O6/c1-20-7-5-6-8-24(20)19-39-25-15-13-22(14-16-25)28(34)26-27(21-9-11-23(12-10-21)31(37)38-4)33(18-17-32(2)3)30(36)29(26)35/h5-16,27,34H,17-19H2,1-4H3/b28-26+InChIKey
WBIQIKUKJJAXHD-BYCLXTJYSA-NSynonyms
573696-07-8(E)(1(2(dimethylammonio)ethyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
573696078
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)(C)C)C4=CC=C(C=C4)C(=O)OC)(O)
COC(=O)c1ccc(cc1)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1)OCc1ccccc1C)(O)
InChI=1SC31H32N2O6c120756824(20)193925151322(141625)28(34)2627(2191123(121021)31(37)384)33(181732(2)3)30(36)29(26)35h5162734H1719H214H3b2826+
METHYL4((3E)1(2DIMETHYLAMINOETHYL)3(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD18244682
ZINC000102532388
ZINC000102532396
Check stock
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Check stock on Vitas-MAvailable files
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