Vitas-M small molecule compound

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

Catalog ID
STK568171
SMILES CCOc1cc(ccc1O)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCC(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 C29H30N2O6 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6/c1-4-36-24-14-21(9-12-23(24)32)26-25(27(33)20-7-10-22(11-8-20)37-17-18(2)3)28(34)29(35)31(26)16-19-6-5-13-30-15-19/h5-15,18,26,32-33H,4,16-17H2,1-3H3/b27-25+
InChIKey
UJHBQCPENSOQBY-IMVLJIQESA-N
Synonyms
843669-54-5
(4E)5(3ETHOXY4HYDROXYPHENYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3ETHOXY4HYDROXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
(E)(2(3ethoxy4hydroxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
843669545
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC=C(C=C3)OCC(C)C)O)C(=O)C(=O)N2CC4=CN=CC=C4)O
CCOc1cc(ccc1O)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1)OCC(C)C)(O)
InChI=1SC29H30N2O6c1436241421(91223(24)32)2625(27(33)2071022(11820)371718(2)3)28(34)29(35)31(26)16196513301519h51518263233H41617H213H3b2725+
MFCD18245211
ZINC000102550987
ZINC000102551000

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Available files

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