Vitas-M small molecule compound
(E)-[4-(benzyloxy)phenyl]{1-[2-(dimethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL054399
SMILES COc1cc(ccc1O)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1ccccc1)/[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 C29H30N2O6 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6/c1-30(2)15-16-31-26(21-11-14-23(32)24(17-21)36-3)25(28(34)29(31)35)27(33)20-9-12-22(13-10-20)37-18-19-7-5-4-6-8-19/h4-14,17,26,32-33H,15-16,18H2,1-3H3/b27-25+InChIKey
YNMIBAWZTRFWBG-IMVLJIQESA-NSynonyms
845631-37-0(4E)1(2(dimethylamino)ethyl)5(4hydroxy3methoxyphenyl)4(hydroxy(4phenylmethoxyphenyl)methylidene)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)phenyl)(1(2(dimethylammonio)ethyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
845631370
CN(C)CCN1C(C(=C(C2=CC=C(C=C2)OCC3=CC=CC=C3)O)C(=O)C1=O)C4=CC(=C(C=C4)O)OC
COc1cc(ccc1O)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1)OCc1ccccc1)(O)
InChI=1SC29H30N2O6c130(2)15163126(21111423(32)24(1721)363)25(28(34)29(31)35)27(33)2091222(131020)3718197546819h41417263233H151618H213H3b2725+
MFCD18249601
ZINC000102892753
ZINC000102892754
Check stock
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Check stock on Vitas-MAvailable files
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