Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL149732
SMILES COc1ccccc1C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)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 C28H36N2O5 MW 480.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O5/c1-18(2)17-35-20-12-13-21(19(3)16-20)26(31)24-25(22-10-7-8-11-23(22)34-6)30(28(33)27(24)32)15-9-14-29(4)5/h7-8,10-13,16,18,25,31H,9,14-15,17H2,1-6H3/b26-24+InChIKey
MKGIXFJEDCAUIE-SHHOIMCASA-NSynonyms
433253-37-3(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(2METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(2methoxyphenyl)45dioxopyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(2METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
433253373
CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=CC=C3OC)O
COc1ccccc1C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1C)OCC(C)C)(O)
InChI=1SC28H36N2O5c118(2)173520121321(19(3)1620)26(31)2425(2210781123(22)346)30(28(33)27(24)32)1591429(4)5h78101316182531H9141517H216H3b2624+
MFCD20755663
ZINC000102929518
ZINC000102929521
Check stock
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Check stock on Vitas-MAvailable files
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