Vitas-M small molecule compound

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

Catalog ID
STL150208
SMILES C[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2C)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/c1-24-21-28(41-23-25-11-6-4-7-12-25)17-18-30(24)33(38)31-32(37(20-19-36(2)3)35(40)34(31)39)26-13-10-16-29(22-26)42-27-14-8-5-9-15-27/h4-18,21-22,32,38H,19-20,23H2,1-3H3/b33-31+
InChIKey
QVCNREHNDZGBBM-QOSDPKFLSA-N
Synonyms

(4E)1(2(dimethylamino)ethyl)4(hydroxy(2methyl4phenylmethoxyphenyl)methylidene)5(3phenoxyphenyl)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5(3PHENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(3PHENOXYPHENYL)PYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(1(2(dimethylammonio)ethyl)45dioxo2(3phenoxyphenyl)pyrrolidin3ylidene)methanolate
C(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc(cc2C)OCc2ccccc2)(O))C1c1cccc(c1)Oc1ccccc1)C
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCN(C)C)C4=CC(=CC=C4)OC5=CC=CC=C5)O
InChI=1SC35H34N2O5c1242128(412325116471225)171830(24)33(38)3132(37(201936(2)3)35(40)34(31)39)2613101629(2226)4227148591527h41821223238H192023H213H3b3331+
MFCD20755767
ZINC000102930905
ZINC000102930906

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Available files

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