Vitas-M small molecule compound
(E)-[2-(4-butoxy-3-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene](2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK569403
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1
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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/c1-3-5-14-38-23-8-6-21(17-25(23)37-4-2)28-27(29(34)22-7-9-24-26(18-22)40-16-15-39-24)30(35)31(36)33(28)19-20-10-12-32-13-11-20/h6-13,17-18,28,34H,3-5,14-16,19H2,1-2H3/b29-27+InChIKey
MDRHBJYEDPEMCW-ORIPQNMZSA-NSynonyms
620567-34-2(4E)5(4BUTOXY3ETHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4BUTOXY3ETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
(E)(2(4butoxy3ethoxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
620567342
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC5=CC=(NH+)C=C5)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC31H32N2O7c1351438238621(1725(23)3742)2827(29(34)22792426(1822)4016153924)30(35)31(36)33(28)1920101232131120h61317182834H35141619H212H3b2927+
MFCD18245288
ZINC000102654017
ZINC000102654022
Check stock
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