Vitas-M small molecule compound
(E)-[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL044365
SMILES COc1cc(ccc1OC)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)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 C30H32N2O6 MW 516.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O6/c1-18(2)17-38-22-9-10-23(19(3)13-22)28(33)26-27(21-8-11-24(36-4)25(14-21)37-5)32(30(35)29(26)34)16-20-7-6-12-31-15-20/h6-15,18,27,33H,16-17H2,1-5H3/b28-26+InChIKey
YQQMNBCMLKIIPL-BYCLXTJYSA-NSynonyms
488137-87-7(4E)5(34DIMETHOXYPHENYL)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(34DIMETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
(E)(2(34dimethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
488137877
CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=C(C=C4)OC)OC)(O)
COc1cc(ccc1OC)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1C)OCC(C)C)(O)
InChI=1SC30H32N2O6c118(2)17382291023(19(3)1322)28(33)2627(2181124(364)25(1421)375)32(30(35)29(26)34)16207612311520h615182733H1617H215H3b2826+
MFCD18248410
ZINC000102876108
ZINC000102876112
Check stock
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Check stock on Vitas-MAvailable files
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