Vitas-M small molecule compound

(E)-{1'-[3-(dimethylammonio)propyl]-2,4',5'-trioxo-1-(prop-2-en-1-yl)-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}(4-propoxyphenyl)methanolate

Catalog ID
STK593156
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C21C(=O)N(c1c2cccc1)CC=C)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 C29H33N3O5 MW 503.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O5/c1-5-16-31-23-11-8-7-10-22(23)29(28(31)36)24(26(34)27(35)32(29)18-9-17-30(3)4)25(33)20-12-14-21(15-13-20)37-19-6-2/h5,7-8,10-15,33H,1,6,9,16-19H2,2-4H3/b25-24-
InChIKey
AEZJEJOKASGYDO-IZHYLOQSSA-N
Synonyms
848869-85-2
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1PROP2ENYLSPIRO(INDOLE35PYRROLIDINE)223TRIONE
(E)(1(3(dimethylammonio)propyl)245trioxo1(prop2en1yl)12dihydro3Hspiro(indole32pyrrolidin)3ylidene)(4propoxyphenyl)methanolate
(E)(1(3(dimethylazaniumyl)propyl)245trioxo1prop2enylspiro(indole32pyrrolidine)3ylidene)(4propoxyphenyl)methanolate
848869852
CCCOC1=CC=C(C=C1)C(=C2C(=O)C(=O)N(C23C4=CC=CC=C4N(C3=O)CC=C)CCC(NH+)(C)C)(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C21C(=O)N(c1c2cccc1)CC=C)CCC(NH+)(C)C)(O)
InChI=1SC29H33N3O5c1516312311871022(23)29(28(31)36)24(26(34)27(35)32(29)1891730(3)4)25(33)20121421(151320)371962h578101533H1691619H224H3b2524
MFCD07211632
ZINC000009324596
ZINC000009324597

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.