Vitas-M small molecule compound
3-oxo-1-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Catalog ID
STK830051
SMILES N#Cc1c(=O)[nH]c(c2c1CCCC2)c1ccccc1
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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 C16H14N2O MW 250.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O/c17-10-14-12-8-4-5-9-13(12)15(18-16(14)19)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2,(H,18,19)InChIKey
FEVDPUCGQBSYBW-UHFFFAOYSA-NSynonyms
53661-29-33oxo1phenyl235678hexahydroisoquinoline4carbonitrile
3oxo1phenyl5678tetrahydro2Hisoquinoline4carbonitrile
53661293
C1CCC2=C(NC(=O)C(=C2C1)C#N)C3=CC=CC=C3
InChI=1SC16H14N2Oc17101412845913(12)15(1816(14)19)116213711h1367H4589H2(H1819)
MFCD01565242
N#Cc1c(=O)(nH)c(c2c1CCCC2)c1ccccc1
ZINC000008772684
ZINC08772684
ZINC8772684
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