Vitas-M small molecule compound
(2Z)-7-{[benzyl(methyl)ammonio]methyl}-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK588902
SMILES C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)[N+](=O)[O-])/C2=O)Cc1ccccc1
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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 C24H20N2O5 MW 416.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O5/c1-25(14-17-5-3-2-4-6-17)15-20-21(27)12-11-19-23(28)22(31-24(19)20)13-16-7-9-18(10-8-16)26(29)30/h2-13,27H,14-15H2,1H3/b22-13-InChIKey
RATFXMYCNLGULU-XKZIYDEJSA-NSynonyms
899406-68-9(2Z)7((benzyl(methyl)ammonio)methyl)2(4nitrobenzylidene)3oxo23dihydro1benzofuran6olate
C(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(cc1)(N+)(=O)(O))C2=O)Cc1ccccc1
CN(CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)(N+)(=O)(O))C3=O)O
InChI=1SC24H20N2O5c125(14175324617)152021(27)12111923(28)22(3124(19)20)13167918(10816)26(29)30h21327H1415H21H3b2213
MFCD06609851
ZINC000020533354
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