Vitas-M small molecule compound
(E)-{2-(3,4-dimethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STK559251
SMILES COc1cc(ccc1OC)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 C31H34N2O6 MW 530.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O6/c1-20-8-6-7-9-23(20)19-39-24-13-10-21(11-14-24)29(34)27-28(22-12-15-25(37-4)26(18-22)38-5)33(17-16-32(2)3)31(36)30(27)35/h6-15,18,28,34H,16-17,19H2,1-5H3/b29-27+InChIKey
IDJKELFTHUARID-ORIPQNMZSA-NSynonyms
840513-39-5(4E)5(34DIMETHOXYPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34dimethoxyphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
(E)(2(34DIMETHOXYPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
840513395
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)(C)C)C4=CC(=C(C=C4)OC)OC)(O)
COc1cc(ccc1OC)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1)OCc1ccccc1C)(O)
InChI=1SC31H34N2O6c120867923(20)193924131021(111424)29(34)2728(22121525(374)26(1822)385)33(171632(2)3)31(36)30(27)35h615182834H161719H215H3b2927+
MFCD18243221
ZINC000102485496
ZINC000102485504
Check stock
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Check stock on Vitas-MAvailable files
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