Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene][2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL038483
SMILES COc1cc(cc(c1OC)OC)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 C31H34N2O7 MW 546.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O7/c1-18(2)17-40-22-9-10-23(19(3)12-22)28(34)26-27(21-13-24(37-4)30(39-6)25(14-21)38-5)33(31(36)29(26)35)16-20-8-7-11-32-15-20/h7-15,18,27,34H,16-17H2,1-6H3/b28-26+InChIKey
BTVYLFUJDZSTIY-BYCLXTJYSA-NSynonyms
488800-85-7(4E)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(345trimethoxyphenyl)pyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
488800857
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)OC)(O)
COc1cc(cc(c1OC)OC)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1C)OCC(C)C)(O)
InChI=1SC31H34N2O7c118(2)17402291023(19(3)1222)28(34)2627(211324(374)30(396)25(1421)385)33(31(36)29(26)35)16208711321520h715182734H1617H216H3b2826+
MFCD18247638
ZINC000102861633
ZINC000102861636
Check stock
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Check stock on Vitas-MAvailable files
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