Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STK618211
SMILES COc1cc(ccc1O)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCC(C)C)/[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 C27H34N2O6 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O6/c1-16(2)15-35-21-10-8-19(13-17(21)3)25(31)23-24(18-7-9-20(30)22(14-18)34-6)29(12-11-28(4)5)27(33)26(23)32/h7-10,13-14,16,24,30-31H,11-12,15H2,1-6H3/b25-23+InChIKey
MSRJQCHRKMHWMB-WJTDDFOZSA-NSynonyms
(4E)1(2(dimethylamino)ethyl)5(4hydroxy3methoxyphenyl)4(hydroxy(3methyl4(2methylpropoxy)phenyl)methylidene)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=C(C=C3)O)OC)O)OCC(C)C
COc1cc(ccc1O)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCC(C)C)(O)
InChI=1SC27H34N2O6c116(2)15352110819(1317(21)3)25(31)2324(187920(30)22(1418)346)29(121128(4)5)27(33)26(23)32h710131416243031H111215H216H3b2523+
MFCD18246351
ZINC000102717305
ZINC000102717308
Check stock
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Check stock on Vitas-MAvailable files
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