Vitas-M small molecule compound
2-benzyl-4,8-diethoxy-1,3-dimethylcyclohepta[c]pyrrolium
Catalog ID
STK874172
SMILES 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 C22H26NO2 MW 336.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26NO2/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/h7-14H,5-6,15H2,1-4H3/q+1InChIKey
UPNKQTGOHSIONW-UHFFFAOYSA-NSynonyms
2BENZYL13DIMETHYL48DIETHOXYCYCLOHEPTA(C)PYRROLE2IUM
2BENZYL48DIETHOXY13DIMETHYLCYCLOHEPTA(C)PYRROL2IUM
2benzyl48diethoxy13dimethylcyclohepta(c)pyrrolium
CCOC1=C2C(=(N+)(C(=C2C(=CC=C1)OCC)C)CC3=CC=CC=C3)C
CCOc1cccc(c2c1c(C)(n+)(c2C)Cc1ccccc1)OCC
InChI=1SC22H26NO2c15241913101420(2562)2217(4)23(16(3)21(19)22)1518118791218h714H5615H214H3q+1
ZINC00198835
ZINC198835
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