Vitas-M small molecule compound
(E)-(4-butoxy-2-methylphenyl)[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL039893
SMILES CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)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 C31H34N2O7 MW 546.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O7/c1-6-7-13-40-22-10-11-23(19(2)14-22)28(34)26-27(21-15-24(37-3)30(39-5)25(16-21)38-4)33(31(36)29(26)35)18-20-9-8-12-32-17-20/h8-12,14-17,27,34H,6-7,13,18H2,1-5H3/b28-26+InChIKey
XREPYOSVWPJKDS-BYCLXTJYSA-NSynonyms
608490-22-8(4E)4((4BUTOXY2METHYLPHENYL)HYDROXYMETHYLIDENE)1(PYRIDIN3YLMETHYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4BUTOXY2METHYLPHENYL)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4butoxy2methylphenyl)(45dioxo1(pyridinium3ylmethyl)2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
608490228
CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)(O))C
CCCCOc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)Cc1ccc(nH+)c1)(O)
InChI=1SC31H34N2O7c167134022101123(19(2)1422)28(34)2627(211524(373)30(395)25(1621)384)33(31(36)29(26)35)18209812321720h81214172734H671318H215H3b2826+
MFCD18247913
ZINC000102864726
ZINC000102864728
Check stock
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Check stock on Vitas-MAvailable files
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