Vitas-M small molecule compound
4-(3-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK035217
SMILES N#CC1=C(C)NC2=C(C1c1cccc(c1)O)C(=O)CC(C2)(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 C19H20N2O2 MW 308.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O2/c1-11-14(10-20)17(12-5-4-6-13(22)7-12)18-15(21-11)8-19(2,3)9-16(18)23/h4-7,17,21-22H,8-9H2,1-3H3InChIKey
QRKCFEJZUBAHNX-UHFFFAOYSA-NSynonyms
312620-04-5312620045
4(3hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carbonitrile
4(3hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carbonitrile
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)O)C#N
InChI=1SC19H20N2O2c11114(1020)17(1254613(22)712)1815(2111)819(23)916(18)23h47172122H89H213H3
MFCD01825116
N#CC1=C(C)NC2=C(C1c1cccc(c1)O)C(=O)CC(C2)(C)C
STK035217
ZINC000005095050
ZINC000100090099
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