Vitas-M small molecule compound
(E)-{2-[3-(benzyloxy)phenyl]-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK586040
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)Cc1cc[nH+]cc1)/c1ccc2c(c1)OCCO2
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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 C32H26N2O6 MW 534.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N2O6/c35-30(24-9-10-26-27(18-24)39-16-15-38-26)28-29(34(32(37)31(28)36)19-21-11-13-33-14-12-21)23-7-4-8-25(17-23)40-20-22-5-2-1-3-6-22/h1-14,17-18,29,35H,15-16,19-20H2/b30-28+InChIKey
OWQCBAXSNNEIFG-SJCQXOIGSA-NSynonyms
620567-01-3(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PHENYLMETHOXYPHENYL)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3(benzyloxy)phenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(O)C(=C1C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)Cc1cc(nH+)cc1)c1ccc2c(c1)OCCO2
620567013
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=NC=C4)C5=CC(=CC=C5)OCC6=CC=CC=C6)O
InChI=1SC32H26N2O6c3530(249102627(1824)3916153826)2829(34(32(37)31(28)36)1921111333141221)2374825(1723)4020225213622h11417182935H15161920H2b3028+
MFCD07199061
ZINC000102599161
ZINC000102599165
Check stock
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