Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL046654
SMILES COc1cc(ccc1OC)C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OCC(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/c1-8-31(9-2)14-15-32-27(21-10-13-24(36-6)25(17-21)37-7)26(29(34)30(32)35)28(33)23-12-11-22(16-20(23)5)38-18-19(3)4/h10-13,16-17,19,27,33H,8-9,14-15,18H2,1-7H3/b28-26+InChIKey
XAEHXGIDJLSLCJ-BYCLXTJYSA-NSynonyms
500276-05-1(4E)1(2DIETHYLAMINOETHYL)5(34DIMETHOXYPHENYL)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(34dimethoxyphenyl)45dioxopyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(34DIMETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
500276051
CC(NH+)(CC)CCN1C(C(=C(C2=C(C=C(C=C2)OCC(C)C)C)(O))C(=O)C1=O)C3=CC(=C(C=C3)OC)OC
COc1cc(ccc1OC)C1N(CC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc(cc1C)OCC(C)C)(O)
InChI=1SC30H40N2O6c1831(92)14153227(21101324(366)25(1721)377)26(29(34)30(32)35)28(33)23121122(1620(23)5)381819(3)4h10131617192733H89141518H217H3b2826+
MFCD18248897
ZINC000102880946
ZINC000102880949
Check stock
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Check stock on Vitas-MAvailable files
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