Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK373566
SMILES N#CC1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)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 C20H20N2O3 MW 336.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3/c1-11-13(9-21)18(12-4-5-16-17(6-12)25-10-24-16)19-14(22-11)7-20(2,3)8-15(19)23/h4-6,18,22H,7-8,10H2,1-3H3InChIKey
YRVJWAPWCXECOV-UHFFFAOYSA-NSynonyms
333779-45-6333779456
4(13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carbonitrile
4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carbonitrile
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C#N
InChI=1SC20H20N2O3c11113(921)18(12451617(612)25102416)1914(2211)720(23)815(19)23h461822H7810H213H3
MFCD00785422
ZINC000019798611
ZINC000019798613
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