Vitas-M small molecule compound
2-butyl-5-chloro-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindolium
Catalog ID
STL332611
SMILES CCCC[N+]1(C)CC2C(C1)CC=C(C2)Cl
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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 C13H23ClN MW 228.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H23ClN/c1-3-4-7-15(2)9-11-5-6-13(14)8-12(11)10-15/h6,11-12H,3-5,7-10H2,1-2H3/q+1InChIKey
LEPNHGPYAZHNQP-UHFFFAOYSA-NSynonyms
2BUTYL5CHLORO2METHYL133A477AHEXAHYDROISOINDOL2IUM
2butyl5chloro2methyl233a477ahexahydro1Hisoindol2iumiodide
2butyl5chloro2methyl233a477ahexahydro1Hisoindolium
CCCC(N+)1(C)CC2C(C1)CC=C(C2)Cl
CCCC(N+)1(C)CC2C(C1)CC=C(C2)Cl(I)
CCCC(N+)1(CC2CC=C(CC2C1)Cl)C
InChI=1SC13H23ClNc134715(2)9115613(14)812(11)1015h61112H35710H212H3q+1
MFCD02223543
ZINC000239338765
ZINC000239338768
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