Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl)[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL149865
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(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 C30H32N2O6 MW 516.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O6/c1-5-6-14-38-23-11-10-22(15-19(23)2)28(33)26-27(21-9-12-24(36-3)25(16-21)37-4)32(30(35)29(26)34)18-20-8-7-13-31-17-20/h7-13,15-17,27,33H,5-6,14,18H2,1-4H3/b28-26+InChIKey
PRRDEDAHGJPFTO-BYCLXTJYSA-NSynonyms
383901-92-6(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(34DIMETHOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4BUTOXY3METHYLPHENYL)(2(34DIMETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4butoxy3methylphenyl)(2(34dimethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
383901926
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=C(C=C4)OC)OC)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)Cc1ccc(nH+)c1)(O)
InChI=1SC30H32N2O6c156143823111022(1519(23)2)28(33)2627(2191224(363)25(1621)374)32(30(35)29(26)34)18208713311720h71315172733H561418H214H3b2826+
MFCD20755687
ZINC000102929803
ZINC000102929805
Check stock
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Check stock on Vitas-MAvailable files
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