Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK558862
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)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 C30H40N2O6 MW 524.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40N2O6/c1-7-10-17-38-23-13-12-22(18-20(23)4)28(33)26-27(21-11-14-24(36-5)25(19-21)37-6)32(30(35)29(26)34)16-15-31(8-2)9-3/h11-14,18-19,27,33H,7-10,15-17H2,1-6H3/b28-26+InChIKey
SOQASOXRGFGLHO-BYCLXTJYSA-NSynonyms
500270-35-9(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(2DIETHYLAMINOETHYL)5(34DIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(2(diethylammonio)ethyl)2(34dimethoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(2(DIETHYLAZANIUMYL)ETHYL)2(34DIMETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4(4BUTOXY3METHYLBENZOYL)1(2(DIETHYLAMINO)ETHYL)5(34DIMETHOXYPHENYL)3HYDROXY15DIHYDRO2HPYRROL2ONE
500270359
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(CC)CC)C3=CC(=C(C=C3)OC)OC)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CC(NH+)(CC)CC)(O)
InChI=1SC30H40N2O6c1710173823131222(1820(23)4)28(33)2627(21111424(365)25(1921)376)32(30(35)29(26)34)161531(82)93h111418192733H7101517H216H3b2826+
MFCD18243130
ZINC000102482789
ZINC000102482797
Check stock
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Check stock on Vitas-MAvailable files
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