Vitas-M small molecule compound
(E)-[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL056742
SMILES COc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)OCc2ccccc2C)\[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 C33H30N2O6 MW 550.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O6/c1-21-7-4-5-9-25(21)20-41-26-13-10-23(11-14-26)31(36)29-30(24-12-15-27(39-2)28(17-24)40-3)35(33(38)32(29)37)19-22-8-6-16-34-18-22/h4-18,30,36H,19-20H2,1-3H3/b31-29+InChIKey
KWZMVWQQDQPJFF-OWWNRXNESA-NSynonyms
893699-10-0(4E)5(34DIMETHOXYPHENYL)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(34DIMETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
(E)(2(34dimethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
893699100
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=C(NH+)=CC=C4)C5=CC(=C(C=C5)OC)OC)(O)
COc1ccc(cc1OC)C1C(=C(c2ccc(cc2)OCc2ccccc2C)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC33H30N2O6c121745925(21)204126131023(111426)31(36)2930(24121527(392)28(1724)403)35(33(38)32(29)37)19228616341822h4183036H1920H213H3b3129+
MFCD18249764
ZINC000102896345
ZINC000102896347
Check stock
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Check stock on Vitas-MAvailable files
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