Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK566020
SMILES C[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OCc2ccccc2)/[O-])/C1c1cccc(c1)Oc1ccccc1)C
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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 C35H34N2O5 MW 562.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34N2O5/c1-24-21-27(17-18-30(24)41-23-25-11-6-4-7-12-25)33(38)31-32(37(20-19-36(2)3)35(40)34(31)39)26-13-10-16-29(22-26)42-28-14-8-5-9-15-28/h4-18,21-22,32,38H,19-20,23H2,1-3H3/b33-31+InChIKey
JTUARUKFNABEPC-QOSDPKFLSA-NSynonyms
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5(3PHENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(3PHENOXYPHENYL)PYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(1(2(dimethylammonio)ethyl)45dioxo2(3phenoxyphenyl)pyrrolidin3ylidene)methanolate
C(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc(c(c2)C)OCc2ccccc2)(O))C1c1cccc(c1)Oc1ccccc1)C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC(=CC=C3)OC4=CC=CC=C4)(O))OCC5=CC=CC=C5
InChI=1SC35H34N2O5c1242127(171830(24)412325116471225)33(38)3132(37(201936(2)3)35(40)34(31)39)2613101629(2226)4228148591528h41821223238H192023H213H3b3331+
MFCD18244920
ZINC000102538910
ZINC000102538917
Check stock
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Check stock on Vitas-MAvailable files
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