Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl[2-(3-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK572279
SMILES CCOc1cccc(c1)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 C27H24N2O6 MW 472.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O6/c1-2-33-20-5-3-4-18(14-20)24-23(25(30)19-6-7-21-22(15-19)35-13-12-34-21)26(31)27(32)29(24)16-17-8-10-28-11-9-17/h3-11,14-15,24,30H,2,12-13,16H2,1H3/b25-23+InChIKey
GKQQHQAYGYYKFC-WJTDDFOZSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXYPHENYL)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(3ethoxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)methanolate
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=NC=C5
CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC27H24N2O6c12332053418(1420)2423(25(30)19672122(1519)3513123421)26(31)27(32)29(24)16178102811917h31114152430H2121316H21H3b2523+
MFCD07207012
ZINC000102568595
ZINC000102568604
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