Vitas-M small molecule compound
4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-benzylpyridinium
Catalog ID
STK395511
SMILES c1ccc(cc1)C[n+]1ccc(cc1)/C=C/c1ccc2c(c1)OCO2
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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 C21H18NO2 MW 316.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18NO2/c1-2-4-19(5-3-1)15-22-12-10-17(11-13-22)6-7-18-8-9-20-21(14-18)24-16-23-20/h1-14H,15-16H2/q+1/b7-6+InChIKey
JSSSCYHMVXCTLD-VOTSOKGWSA-NSynonyms
4((E)2(13BENZODIOXOL5YL)ETHENYL)1BENZYLPYRIDIN1IUM
4((E)2(13benzodioxol5yl)ethenyl)1benzylpyridinium
c1ccc(cc1)C(n+)1ccc(cc1)C=Cc1ccc2c(c1)OCO2
C1OC2=C(O1)C=C(C=C2)C=CC3=CC=(N+)(C=C3)CC4=CC=CC=C4
InChI=1SC21H18NO2c12419(531)1522121017(111322)6718892021(1418)24162320h114H1516H2q+1b76+
MFCD00775760
ZINC000003099567
ZINC03099567
ZINC3099567
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