Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[3-(dimethylammonio)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL148689
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OCC)CCC[NH+](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 C30H40N2O6 MW 524.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40N2O6/c1-7-9-17-38-23-13-12-22(18-20(23)3)28(33)26-27(21-11-14-24(37-8-2)25(19-21)36-6)32(30(35)29(26)34)16-10-15-31(4)5/h11-14,18-19,27,33H,7-10,15-17H2,1-6H3/b28-26+InChIKey
CYLUVMFWECOEBE-BYCLXTJYSA-NSynonyms
499116-83-5(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(4ETHOXY3METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(3(dimethylammonio)propyl)2(4ethoxy3methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4ETHOXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
499116835
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=C(C=C3)OCC)OC)O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)OCC)CCC(NH+)(C)C)(O)
InChI=1SC30H40N2O6c179173823131222(1820(23)3)28(33)2627(21111424(3782)25(1921)366)32(30(35)29(26)34)16101531(4)5h111418192733H7101517H216H3b2826+
MFCD20755449
ZINC000102928288
ZINC000102928289
Check stock
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Check stock on Vitas-MAvailable files
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