Vitas-M small molecule compound
1-[(E)-(2-{[2-(3,4-dimethoxybenzyl)-1H-3,1-benzimidazol-3-ium-1-yl]acetyl}hydrazinylidene)methyl]-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-olate
Catalog ID
STK559844
SMILES COc1cc(ccc1OC)Cc1[nH+]c2c(n1CC(=O)N/N=C/c1c([O-])ccc3c1c1CCCCc1o3)cccc2
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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 C31H30N4O5 MW 538.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O5/c1-38-26-13-11-19(15-28(26)39-2)16-29-33-22-8-4-5-9-23(22)35(29)18-30(37)34-32-17-21-24(36)12-14-27-31(21)20-7-3-6-10-25(20)40-27/h4-5,8-9,11-15,17,36H,3,6-7,10,16,18H2,1-2H3,(H,34,37)/b32-17+InChIKey
CVKGOROFBBGHGB-VTNSRFBWSA-NSynonyms
1((E)(2((2(34dimethoxybenzyl)1H31benzimidazol3ium1yl)acetyl)hydrazinylidene)methyl)6789tetrahydrodibenzo(bd)furan2olate
COc1cc(ccc1OC)Cc1(nH+)c2c(n1CC(=O)NN=Cc1c((O))ccc3c1c1CCCCc1o3)cccc2
MFCD01960068
ZINC000050860261
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