Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL150424
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OCC)CC[NH+](CC)CC)/[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 C30H40N2O5 MW 508.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40N2O5/c1-6-10-19-37-25-16-13-23(20-21(25)5)28(33)26-27(22-11-14-24(15-12-22)36-9-4)32(30(35)29(26)34)18-17-31(7-2)8-3/h11-16,20,27,33H,6-10,17-19H2,1-5H3/b28-26+InChIKey
BLOKKMKNHISNHE-BYCLXTJYSA-NSynonyms
496799-42-9(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(2DIETHYLAMINOETHYL)5(4ETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(2(diethylammonio)ethyl)2(4ethoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
496799429
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(CC)CC)C3=CC=C(C=C3)OCC)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OCC)CC(NH+)(CC)CC)(O)
InChI=1SC30H40N2O5c1610193725161323(2021(25)5)28(33)2627(22111424(151222)3694)32(30(35)29(26)34)181731(72)83h1116202733H6101719H215H3b2826+
MFCD20755826
ZINC000102930519
ZINC000102930522
Check stock
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Check stock on Vitas-MAvailable files
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