Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL044524
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)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 C32H42N2O8 MW 582.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H42N2O8/c1-6-7-15-42-24-10-9-22(18-21(24)2)29(35)27-28(23-19-25(38-3)31(40-5)26(20-23)39-4)34(32(37)30(27)36)12-8-11-33-13-16-41-17-14-33/h9-10,18-20,28,35H,6-8,11-17H2,1-5H3/b29-27+InChIKey
CZXFJTRKONJCFB-ORIPQNMZSA-NSynonyms
(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=C(C(=C4)OC)OC)OC)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CCC(NH+)1CCOCC1)(O)
InChI=1SC32H42N2O8c16715422410922(1821(24)2)29(35)2728(231925(383)31(405)26(2023)394)34(32(37)30(27)36)1281133131641171433h91018202835H681117H215H3b2927+
MFCD18248433
ZINC000102875253
ZINC000102875255
Check stock
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Check stock on Vitas-MAvailable files
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