Vitas-M small molecule compound

(E)-[2-(2-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(2-methylpropoxy)phenyl]methanolate

Catalog ID
STL051984
SMILES CCOc1ccccc1C1/C(=C(/c2ccc(cc2)OCC(C)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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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 C29H30N2O5 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O5/c1-4-35-24-10-6-5-9-23(24)26-25(27(32)21-11-13-22(14-12-21)36-18-19(2)3)28(33)29(34)31(26)17-20-8-7-15-30-16-20/h5-16,19,26,32H,4,17-18H2,1-3H3/b27-25+
InChIKey
QLSPOTIPGMHNNZ-IMVLJIQESA-N
Synonyms
844458-51-1
(4E)5(2ETHOXYPHENYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(2ETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
(E)(2(2ethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
5(2ETHOXYPHENYL)3HYDROXY4(4ISOBUTOXYBENZOYL)1(3PYRIDINYLMETHYL)15DIHYDRO2HPYRROL2ONE
844458511
CCOC1=CC=CC=C1C2C(=C(C3=CC=C(C=C3)OCC(C)C)O)C(=O)C(=O)N2CC4=CN=CC=C4
CCOc1ccccc1C1C(=C(c2ccc(cc2)OCC(C)C)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC29H30N2O5c1435241065923(24)2625(27(32)21111322(141221)361819(2)3)28(33)29(34)31(26)17208715301620h516192632H41718H213H3b2725+
MFCD18249433
ZINC000102889547
ZINC000102889550

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Available files

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