Vitas-M small molecule compound
(E)-[2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL042232
SMILES CCOc1cc(ccc1O)C1/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1
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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 C33H30N2O6 MW 550.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O6/c1-3-40-28-18-25(9-12-27(28)36)30-29(32(38)33(39)35(30)19-22-13-15-34-16-14-22)31(37)24-7-10-26(11-8-24)41-20-23-6-4-5-21(2)17-23/h4-18,30,36-37H,3,19-20H2,1-2H3/b31-29+InChIKey
YDGOORKFIPSNLR-OWWNRXNESA-NSynonyms
(4E)5(3ETHOXY4HYDROXYPHENYL)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3ETHOXY4HYDROXYPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(4((3METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
(E)(2(3ethoxy4hydroxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(4((3methylbenzyl)oxy)phenyl)methanolate
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC=C(C=C3)OCC4=CC=CC(=C4)C)O)C(=O)C(=O)N2CC5=CC=NC=C5)O
CCOc1cc(ccc1O)C1C(=C(c2ccc(cc2)OCc2cccc(c2)C)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC33H30N2O6c1340281825(91227(28)36)3029(32(38)33(39)35(30)1922131534161422)31(37)2471026(11824)41202364521(2)1723h418303637H31920H212H3b3129+
MFCD18248147
ZINC000102869837
ZINC000102869840
Check stock
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Check stock on Vitas-MAvailable files
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