Vitas-M small molecule compound

3-oxo-1-(propan-2-yl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

Catalog ID
STK721176
SMILES N#Cc1c(=O)[nH]c(c2c1CCCC2)C(C)C

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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/c1-8(2)12-10-6-4-3-5-9(10)11(7-14)13(16)15-12/h8H,3-6H2,1-2H3,(H,15,16)
InChIKey
ATVXMXQDEUWQOR-UHFFFAOYSA-N
Synonyms
371930-42-6
1isopropyl3oxo235678hexahydroisoquinoline4carbonitrile
371930426
3oxo1(propan2yl)235678hexahydroisoquinoline4carbonitrile
3oxo1propan2yl5678tetrahydro2Hisoquinoline4carbonitrile
CC(C)C1=C2CCCCC2=C(C(=O)N1)C#N
InChI=1SC13H16N2Oc18(2)121064359(10)11(714)13(16)1512h8H36H212H3(H1516)
MFCD01561761
N#Cc1c(=O)(nH)c(c2c1CCCC2)C(C)C
ZINC000004785597
ZINC04785597
ZINC4785597

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Available files

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