Vitas-M small molecule compound

(E)-{2-(2,3-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate

Catalog ID
STK566721
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1OC)OC)CCC[NH+](C)C)/[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 C27H34N2O6 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O6/c1-6-17-35-19-13-11-18(12-14-19)24(30)22-23(20-9-7-10-21(33-4)26(20)34-5)29(27(32)25(22)31)16-8-15-28(2)3/h7,9-14,23,30H,6,8,15-17H2,1-5H3/b24-22+
InChIKey
MCTQEDVANGLGDQ-ZNTNEXAZSA-N
Synonyms
615272-37-2
(4E)5(23DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(23dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(2(23DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
5(23DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
5(23DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY4(4PROPOXYBENZOYL)15DIHYDRO2HPYRROL2ONE
615272372
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=C(C(=CC=C3)OC)OC)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1OC)OC)CCC(NH+)(C)C)(O)
InChI=1SC27H34N2O6c16173519131118(121419)24(30)2223(20971021(334)26(20)345)29(27(32)25(22)31)1681528(2)3h79142330H681517H215H3b2422+
MFCD18245083
ZINC000102543502
ZINC000102543509

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Available files

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