Vitas-M small molecule compound
(E)-[2-(2,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-2-methylphenyl)methanolate
Catalog ID
STK564304
SMILES COc1ccc(c(c1)OC)C1/C(=C(/c2ccc(cc2C)OC)\[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 C27H26N2O6 MW 474.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6/c1-16-12-18(33-2)7-9-20(16)25(30)23-24(21-10-8-19(34-3)13-22(21)35-4)29(27(32)26(23)31)15-17-6-5-11-28-14-17/h5-14,24,30H,15H2,1-4H3/b25-23+InChIKey
LMIPWCKIUOSPKE-WJTDDFOZSA-NSynonyms
(4E)5(24DIMETHOXYPHENYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(24DIMETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
(E)(2(24dimethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=C(C=C(C=C4)OC)OC)O
COc1ccc(c(c1)OC)C1C(=C(c2ccc(cc2C)OC)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC27H26N2O6c1161218(332)7920(16)25(30)2324(2110819(343)1322(21)354)29(27(32)26(23)31)15176511281417h5142430H15H214H3b2523+
MFCD18244507
ZINC000102527092
ZINC000102527098
Check stock
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Check stock on Vitas-MAvailable files
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