Vitas-M small molecule compound
(E)-(4-butoxy-2-methylphenyl)[2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL150902
SMILES CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OCC)Cc1ccc[nH+]c1)/[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 C31H34N2O6 MW 530.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O6/c1-5-7-15-39-23-11-12-24(20(3)16-23)29(34)27-28(22-10-13-25(38-6-2)26(17-22)37-4)33(31(36)30(27)35)19-21-9-8-14-32-18-21/h8-14,16-18,28,34H,5-7,15,19H2,1-4H3/b29-27+InChIKey
NQRAPIHWJVSSEH-ORIPQNMZSA-NSynonyms
488825-06-5(4E)4((4BUTOXY2METHYLPHENYL)HYDROXYMETHYLIDENE)5(4ETHOXY3METHOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4BUTOXY2METHYLPHENYL)(2(4ETHOXY3METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4butoxy2methylphenyl)(2(4ethoxy3methoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
488825065
CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=C(C=C4)OCC)OC)(O))C
CCCCOc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)OCC)Cc1ccc(nH+)c1)(O)
InChI=1SC31H34N2O6c157153923111224(20(3)1623)29(34)2728(22101325(3862)26(1722)374)33(31(36)30(27)35)19219814321821h81416182834H571519H214H3b2927+
MFCD20755934
ZINC000102932715
ZINC000102932718
Check stock
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Check stock on Vitas-MAvailable files
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