Vitas-M small molecule compound

(E)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STL149760
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

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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 C29H34N2O6 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O6/c1-3-13-36-23-6-4-5-20(18-23)26-25(27(32)21-7-8-24-22(17-21)16-19(2)37-24)28(33)29(34)31(26)10-9-30-11-14-35-15-12-30/h4-8,17-19,26,32H,3,9-16H2,1-2H3/b27-25+
InChIKey
SHLIXZRJMUJMDN-IMVLJIQESA-N
Synonyms
845664-55-3
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(2methyl23dihydro1benzofuran5yl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(2METHYL23DIHYDRO1BENZOFURAN5YL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(3PROPOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
845664553
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCN5CCOCC5
CCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC29H34N2O6c1313362364520(1823)2625(27(32)21782422(1721)1619(2)3724)28(33)29(34)31(26)10930111435151230h4817192632H3916H212H3b2725+
MFCD20755668
ZINC000009374977
ZINC000009374983

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Available files

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