Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){2-(4-hydroxy-3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL149574
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CCC[NH+]1CCOCC1)/[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 C30H38N2O7 MW 538.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O7/c1-4-5-15-39-24-10-8-22(18-20(24)2)28(34)26-27(21-7-9-23(33)25(19-21)37-3)32(30(36)29(26)35)12-6-11-31-13-16-38-17-14-31/h7-10,18-19,27,33-34H,4-6,11-17H2,1-3H3/b28-26+InChIKey
RZGCCJVVRJJGDK-BYCLXTJYSA-NSynonyms
488715-91-9(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(4HYDROXY3METHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(2(4hydroxy3methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(2(4HYDROXY3METHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
488715919
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC(=C(C=C4)O)OC)O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CCC(NH+)1CCOCC1)(O)
InChI=1SC30H38N2O7c14515392410822(1820(24)2)28(34)2627(217923(33)25(1921)373)32(30(36)29(26)35)1261131131638171431h7101819273334H461117H213H3b2826+
MFCD20755631
ZINC000102929340
ZINC000102929342
Check stock
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Check stock on Vitas-MAvailable files
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