Vitas-M small molecule compound

(E)-[4-(benzyloxy)-2-methylphenyl]{1-[2-(dimethylammonio)ethyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK559758
SMILES C[NH+](CCN1C(c2ccc(cc2)C)/C(=C(/c2ccc(cc2C)OCc2ccccc2)\[O-])/C(=O)C1=O)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 C30H32N2O4 MW 484.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O4/c1-20-10-12-23(13-11-20)27-26(29(34)30(35)32(27)17-16-31(3)4)28(33)25-15-14-24(18-21(25)2)36-19-22-8-6-5-7-9-22/h5-15,18,27,33H,16-17,19H2,1-4H3/b28-26+
InChIKey
CCQWZQOKSDOAQM-BYCLXTJYSA-N
Synonyms
500279-20-9
(4E)1(2(dimethylamino)ethyl)4(hydroxy(2methyl4phenylmethoxyphenyl)methylidene)5(4methylphenyl)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5(4METHYLPHENYL)PYRROLIDINE23DIONE
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(1(2(dimethylammonio)ethyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)methanolate
500279209
C(NH+)(CCN1C(c2ccc(cc2)C)C(=C(c2ccc(cc2C)OCc2ccccc2)(O))C(=O)C1=O)C
CC1=CC=C(C=C1)C2C(=C(C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C(=O)N2CCN(C)C
InChI=1SC30H32N2O4c120101223(131120)2726(29(34)30(35)32(27)171631(3)4)28(33)25151424(1821(25)2)3619228657922h515182733H161719H214H3b2826+
MFCD18243362
ZINC000102490209
ZINC000102490219

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Available files

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