Vitas-M small molecule compound
2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)cyclohexane-1,3-dione
Catalog ID
STK791096
SMILES O=C1CCCC(=O)C1=C1NC(C)(C)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 C17H19NO2 MW 269.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO2/c1-17(2)10-11-6-3-4-7-12(11)16(18-17)15-13(19)8-5-9-14(15)20/h3-4,6-7,18H,5,8-10H2,1-2H3InChIKey
WDKOYVTVEIJEMI-UHFFFAOYSA-NSynonyms
2(33DIMETHYL24DIHYDROISOQUINOLIN1YLIDENE)CYCLOHEXANE13DIONE
2(33DIMETHYL34DIHYDRO2HISOQUINOLIN1YLIDENE)CYCLOHEXANE13DIONE
2(33dimethyl34dihydroisoquinolin1(2H)ylidene)cyclohexane13dione
CC1(CC2=CC=CC=C2C(=C3C(=O)CCCC3=O)N1)C
InChI=1SC17H19NO2c117(2)1011634712(11)16(1817)1513(19)85914(15)20h346718H5810H212H3
MFCD01217765
ZINC000100074270
ZINC100074270
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