Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){2-(4-tert-butylphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL148180
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CC[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 C30H40N2O4 MW 492.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40N2O4/c1-8-9-18-36-24-15-12-22(19-20(24)2)27(33)25-26(21-10-13-23(14-11-21)30(3,4)5)32(17-16-31(6)7)29(35)28(25)34/h10-15,19,26,33H,8-9,16-18H2,1-7H3/b27-25+InChIKey
CORPKSYUUNWANC-IMVLJIQESA-NSynonyms
489417-03-0(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(4TERTBUTYLPHENYL)1(2DIMETHYLAMINOETHYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(2(4tertbutylphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(2(4TERTBUTYLPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
489417030
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC=C(C=C3)C(C)(C)C)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CC(NH+)(C)C)(O)
InChI=1SC30H40N2O4c189183624151222(1920(24)2)27(33)2526(21101323(141121)30(34)5)32(171631(6)7)29(35)28(25)34h1015192633H891618H217H3b2725+
MFCD20755342
ZINC000102926814
ZINC000102926817
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.