Vitas-M small molecule compound

2-(3-chloro-2-hydroxypropyl)isoquinolinium

Catalog ID
STL059124
SMILES ClCC(C[n+]1ccc2c(c1)cccc2)O

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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 C12H13ClNO MW 222.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13ClNO/c13-7-12(15)9-14-6-5-10-3-1-2-4-11(10)8-14/h1-6,8,12,15H,7,9H2/q+1
InChIKey
BXKWGZTXCDWENV-UHFFFAOYSA-N
Synonyms

(O)(Cl)(=O)(=O)=OClCC(C(n+)1ccc2c(c1)cccc2)O
1CHLORO3ISOQUINOLIN2IUM2YLPROPAN2OL
2(3chloro2hydroxypropyl)isoquinolin2iumperchlorate
2(3chloro2hydroxypropyl)isoquinolinium
C1=CC=C2C=(N+)(C=CC2=C1)CC(CCl)O
ClCC(C(n+)1ccc2c(c1)cccc2)O
InChI=1SC12H13ClNOc13712(15)9146510312411(10)814h1681215H79H2q+1
ZINC000000501461
ZINC000000501462

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Available files

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