Vitas-M small molecule compound
(E)-(4-butoxy-2-methylphenyl){2-(4-tert-butylphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK566706
SMILES CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)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 C31H42N2O4 MW 506.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42N2O4/c1-8-9-19-37-24-15-16-25(21(2)20-24)28(34)26-27(22-11-13-23(14-12-22)31(3,4)5)33(30(36)29(26)35)18-10-17-32(6)7/h11-16,20,27,34H,8-10,17-19H2,1-7H3/b28-26+InChIKey
YPCDBFQIZQSHBU-BYCLXTJYSA-NSynonyms
608491-19-6(4E)4((4BUTOXY2METHYLPHENYL)HYDROXYMETHYLIDENE)5(4TERTBUTYLPHENYL)1(3(DIMETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(4butoxy2methylphenyl)(2(4tertbutylphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY2METHYLPHENYL)(2(4TERTBUTYLPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
608491196
CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)C(C)(C)C)O)C
CCCCOc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC(NH+)(C)C)(O)
InChI=1SC31H42N2O4c189193724151625(21(2)2024)28(34)2627(22111323(141222)31(34)5)33(30(36)29(26)35)18101732(6)7h1116202734H8101719H217H3b2826+
MFCD18245082
ZINC000102543420
ZINC000102543428
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.