Vitas-M small molecule compound
4,8-diethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrolium perchlorate
Catalog ID
STK069949
SMILES [O-][Cl](=O)(=O)=O.CCOc1cccc(c2c1c(C)[n+](c2C)c1cccc(c1)OC)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 C22H26ClNO7 MW 451.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26NO3.ClHO4/c1-6-25-19-12-9-13-20(26-7-2)22-16(4)23(15(3)21(19)22)17-10-8-11-18(14-17)24-5;2-1(3,4)5/h8-14H,6-7H2,1-5H3;(H,2,3,4,5)/q+1;/p-1InChIKey
CGKNYKBKSRSNRK-UHFFFAOYSA-MSynonyms
(O)(Cl)(=O)(=O)=OCCOc1cccc(c2c1c(C)(n+)(c2C)c1cccc(c1)OC)OCC
48diethoxy2(3methoxyphenyl)13dimethylcyclohepta(c)pyrrol2iumperchlorate
48DIETHOXY2(3METHOXYPHENYL)13DIMETHYLCYCLOHEPTA(C)PYRROLIUMPERCHLORATE
CCOC1=C2C(=(N+)(C(=C2C(=CC=C1)OCC)C)C3=CC(=CC=C3)OC)C(O)Cl(=O)(=O)=O
InChI=1SC22H26NO3ClHO4c1625191291320(2672)2216(4)23(15(3)21(19)22)171081118(1417)24521(34)5h814H67H215H3(H2345)q+1p1
MFCD03803602
STK069949
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