Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-2-(2,3-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(propan-2-yloxy)phenyl]methanolate

Catalog ID
STL045686
SMILES COc1c(OC)cccc1C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OC(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 C29H38N2O6 MW 510.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O6/c1-8-30(9-2)15-16-31-25(21-11-10-12-23(35-6)28(21)36-7)24(27(33)29(31)34)26(32)20-13-14-22(19(5)17-20)37-18(3)4/h10-14,17-18,25,32H,8-9,15-16H2,1-7H3/b26-24+
InChIKey
XGZPQTFVERAEFB-SHHOIMCASA-N
Synonyms
371132-49-9
(4E)1(2(diethylamino)ethyl)5(23dimethoxyphenyl)4(hydroxy(3methyl4propan2yloxyphenyl)methylidene)pyrrolidine23dione
(4E)1(2DIETHYLAMINOETHYL)5(23DIMETHOXYPHENYL)4(HYDROXY(3METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(23dimethoxyphenyl)45dioxopyrrolidin3ylidene)(3methyl4(propan2yloxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(23DIMETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PROPAN2YLOXYPHENYL)METHANOLATE
1(2(DIETHYLAMINO)ETHYL)5(23DIMETHOXYPHENYL)3HYDROXY4(4ISOPROPOXY3METHYLBENZOYL)1HPYRROL2(5H)ONE
371132499
CCN(CC)CCN1C(C(=C(C2=CC(=C(C=C2)OC(C)C)C)O)C(=O)C1=O)C3=C(C(=CC=C3)OC)OC
COc1c(OC)cccc1C1N(CC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OC(C)C)(O)
InChI=1SC29H38N2O6c1830(92)15163125(2111101223(356)28(21)367)24(27(33)29(31)34)26(32)20131422(19(5)1720)3718(3)4h101417182532H891516H217H3b2624+
MFCD18248685
ZINC000102877778
ZINC000102877780

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Available files

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