Vitas-M small molecule compound
7-chloro-2,2-diethyl-2,3,3a,4-tetrahydro-1H-isoindolium
Catalog ID
STK995710
SMILES CC[N+]1(CC)CC2C(=C(Cl)C=CC2)C1
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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 C12H19ClN MW 212.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H19ClN/c1-3-14(4-2)8-10-6-5-7-12(13)11(10)9-14/h5,7,10H,3-4,6,8-9H2,1-2H3/q+1InChIKey
OTVVECHGCQHNPK-UHFFFAOYSA-NSynonyms
7CHLORO22DIETHYL133A4TETRAHYDROISOINDOL2IUM
7chloro22diethyl233a4tetrahydro1Hisoindolium
CC(N+)1(CC)CC2C(=C(Cl)C=CC2)C1
CC(N+)1(CC2CC=CC(=C2C1)Cl)CC
InChI=1SC12H19ClNc1314(42)81065712(13)11(10)914h5710H34689H212H3q+1
ZINC000000346424
ZINC000000346426
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