Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl]{2-(4-tert-butylphenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL150420
SMILES CC[NH+](CCN1C(c2ccc(cc2)C(C)(C)C)/C(=C(/c2ccc(cc2C)OCc2ccccc2)\[O-])/C(=O)C1=O)CC
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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 C35H42N2O4 MW 554.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H42N2O4/c1-7-36(8-2)20-21-37-31(26-14-16-27(17-15-26)35(4,5)6)30(33(39)34(37)40)32(38)29-19-18-28(22-24(29)3)41-23-25-12-10-9-11-13-25/h9-19,22,31,38H,7-8,20-21,23H2,1-6H3/b32-30+InChIKey
OPGLNEIYZJWFGQ-NHQGMKOOSA-NSynonyms
(4E)5(4TERTBUTYLPHENYL)1(2DIETHYLAMINOETHYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4TERTBUTYLPHENYL)1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(2(4tertbutylphenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)methanolate
CC(NH+)(CC)CCN1C(C(=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)C)(O))C(=O)C1=O)C4=CC=C(C=C4)C(C)(C)C
CC(NH+)(CCN1C(c2ccc(cc2)C(C)(C)C)C(=C(c2ccc(cc2C)OCc2ccccc2)(O))C(=O)C1=O)CC
InChI=1SC35H42N2O4c1736(82)20213731(26141627(171526)35(45)6)30(33(39)34(37)40)32(38)29191828(2224(29)3)41232512109111325h919223138H78202123H216H3b3230+
MFCD20755824
ZINC000102930323
ZINC000102930326
Check stock
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Check stock on Vitas-MAvailable files
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