Vitas-M small molecule compound

2-(3,3,5-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)cyclohexane-1,3-dione

Catalog ID
STK695941
SMILES O=C1CCCC(=O)C1=C1NC(C)(C)Cc2c1cccc2C

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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 C18H21NO2 MW 283.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO2/c1-11-6-4-7-12-13(11)10-18(2,3)19-17(12)16-14(20)8-5-9-15(16)21/h4,6-7,19H,5,8-10H2,1-3H3
InChIKey
FUCLEWUZYHCHJS-UHFFFAOYSA-N
Synonyms
309289-30-3
2(335TRIMETHYL234TRIHYDROISOQUINOLYLIDENE)CYCLOHEXANE13DIONE
2(335TRIMETHYL24DIHYDROISOQUINOLIN1YLIDENE)CYCLOHEXANE13DIONE
2(335TRIMETHYL34DIHYDRO1(2H)ISOQUINOLINYLIDENE)13CYCLOHEXANEDIONE
2(335trimethyl34dihydroisoquinolin1(2H)ylidene)cyclohexane13dione
309289303
CC1=CC=CC2=C1CC(NC2=C3C(=O)CCCC3=O)(C)C
InChI=1SC18H21NO2c1116471213(11)1018(23)1917(12)1614(20)85915(16)21h46719H5810H213H3
MFCD01925940
ZINC000100085242
ZINC100085242

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Available files

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