Vitas-M small molecule compound

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

Catalog ID
STL037430
SMILES COc1cc(ccc1OC)C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)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 C33H38N2O6 MW 558.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N2O6/c1-6-34(7-2)17-18-35-30(24-13-16-27(39-4)28(20-24)40-5)29(32(37)33(35)38)31(36)25-14-15-26(22(3)19-25)41-21-23-11-9-8-10-12-23/h8-16,19-20,30,36H,6-7,17-18,21H2,1-5H3/b31-29+
InChIKey
DXJGYFXIUONNTJ-OWWNRXNESA-N
Synonyms

(4E)1(2DIETHYLAMINOETHYL)5(34DIMETHOXYPHENYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(34DIMETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(1(2(diethylammonio)ethyl)2(34dimethoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
CC(NH+)(CC)CCN1C(C(=C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)C)(O))C(=O)C1=O)C4=CC(=C(C=C4)OC)OC
COc1cc(ccc1OC)C1N(CC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCc1ccccc1)(O)
InChI=1SC33H38N2O6c1634(72)17183530(24131627(394)28(2024)405)29(32(37)33(35)38)31(36)25141526(22(3)1925)4121231198101223h81619203036H67171821H215H3b3129+
MFCD18247428
ZINC000102858445
ZINC000102858450

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Available files

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