Vitas-M small molecule compound

1'-(methylsulfanyl)-4'H-spiro[cyclohexane-1,3'-isoquinoline]

Catalog ID
STK871927
SMILES CSC1=NC2(CCCCC2)Cc2c1cccc2

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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 C15H19NS MW 245.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19NS/c1-17-14-13-8-4-3-7-12(13)11-15(16-14)9-5-2-6-10-15/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKey
UZOCPHMRKUGGRG-UHFFFAOYSA-N
Synonyms
313661-17-5
1(methylsulfanyl)4Hspiro(cyclohexane13isoquinoline)
1(methylthio)4Hspiro(cyclohexane13isoquinoline)
1METHYLSULFANYLSPIRO(4HISOQUINOLINE31CYCLOHEXANE)
1METHYLTHIOSPIRO(34DIHYDROISOQUINOLINE31CYCLOHEXANE)
313661175
CSC1=NC2(CCCCC2)CC3=CC=CC=C31
InChI=1SC15H19NSc1171413843712(13)1115(1614)95261015h3478H256911H21H3
MFCD00688335
ZINC000000191044
ZINC00191044
ZINC191044

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Available files

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