Vitas-M small molecule compound

3-hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STK526384
SMILES CCCc1nc(O)c(c2c1CCCC2)C#N

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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 C13H16N2O MW 216.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O/c1-2-5-12-10-7-4-3-6-9(10)11(8-14)13(16)15-12/h2-7H2,1H3,(H,15,16)
InChIKey
BTCVFONGAMKUGE-UHFFFAOYSA-N
Synonyms
117960-35-7
117960357
3hydroxy1propyl5678tetrahydroisoquinoline4carbonitrile
3oxo1propyl5678tetrahydro2Hisoquinoline4carbonitrile
CCCC1=C2CCCCC2=C(C(=O)N1)C#N
InChI=1SC13H16N2Oc125121074369(10)11(814)13(16)1512h27H21H3(H1516)
MFCD01561152
ZINC000008672072
ZINC08672072
ZINC8672072

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Available files

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