Vitas-M small molecule compound

2-butyl-5-chloro-2,3,3a,4,7,7a-hexahydro-1H-isoindole

Catalog ID
STK995819
SMILES CCCCN1CC2C(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 C12H20ClN MW 213.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H20ClN/c1-2-3-6-14-8-10-4-5-12(13)7-11(10)9-14/h5,10-11H,2-4,6-9H2,1H3
InChIKey
PVRVHWLEIQVCSY-UHFFFAOYSA-N
Synonyms
331444-78-1
(3AR7AS)2BUTYL5CHLORO233A477AHEXAHYDRO1HISOINDOLE
2BUTYL5CHLORO133A477AHEXAHYDROISOINDOLE
2butyl5chloro233a477ahexahydro1Hisoindole
331444781
CCCCN1CC2CC=C(CC2C1)Cl
InChI=1SC12H20ClNc1236148104512(13)711(10)914h51011H2469H21H3
MFCD00698966
ZINC000001746741
ZINC000239386654

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.