Vitas-M small molecule compound
2-benzyl-4,8-diethoxy-1,3-dimethylcyclohepta[c]pyrrolium perchlorate
Catalog ID
STK035396
SMILES [O-][Cl](=O)(=O)=O.CCOc1cccc(c2c1c(C)[n+](c2C)Cc1ccccc1)OCC
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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 C22H26ClNO6 MW 435.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26NO2.ClHO4/c1-5-24-19-13-10-14-20(25-6-2)22-17(4)23(16(3)21(19)22)15-18-11-8-7-9-12-18;2-1(3,4)5/h7-14H,5-6,15H2,1-4H3;(H,2,3,4,5)/q+1;/p-1InChIKey
FNIJMJRKGSHTRR-UHFFFAOYSA-MSynonyms
(O)(Cl)(=O)(=O)=OCCOc1cccc(c2c1c(C)(n+)(c2C)Cc1ccccc1)OCC
2benzyl48diethoxy13dimethylcyclohepta(c)pyrrol2iumperchlorate
2BENZYL48DIETHOXY13DIMETHYLCYCLOHEPTA(C)PYRROLIUMPERCHLORATE
CCOC1=C2C(=(N+)(C(=C2C(=CC=C1)OCC)C)CC3=CC=CC=C3)C(O)Cl(=O)(=O)=O
InChI=1SC22H26NO2ClHO4c15241913101420(2562)2217(4)23(16(3)21(19)22)151811879121821(34)5h714H5615H214H3(H2345)q+1p1
MFCD03806421
STK035396
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