Vitas-M small molecule compound
(E)-[2-(4-butoxy-3-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK570108
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[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 C31H32N2O7 MW 544.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O7/c1-3-5-13-38-23-10-8-21(16-25(23)37-4-2)28-27(29(34)22-9-11-24-26(17-22)40-15-14-39-24)30(35)31(36)33(28)19-20-7-6-12-32-18-20/h6-12,16-18,28,34H,3-5,13-15,19H2,1-2H3/b29-27+InChIKey
BEJXWNGATBVZQB-ORIPQNMZSA-NSynonyms
620565-26-6(4E)5(4BUTOXY3ETHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4BUTOXY3ETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
(E)(2(4butoxy3ethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
620565266
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CN=CC=C5)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC31H32N2O7c13513382310821(1625(23)3742)2827(29(34)229112426(1722)4015143924)30(35)31(36)33(28)19207612321820h61216182834H35131519H212H3b2927+
MFCD18245337
ZINC000102560559
ZINC000102560567
Check stock
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