Vitas-M small molecule compound
4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK029941
SMILES CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C#N
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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 C21H24N2O MW 320.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O/c1-5-14-6-8-15(9-7-14)19-16(12-22)13(2)23-17-10-21(3,4)11-18(24)20(17)19/h6-9,19,23H,5,10-11H2,1-4H3InChIKey
UTCBNEKLZHKTHN-UHFFFAOYSA-NSynonyms
5712-36-74(4ethylphenyl)277trimethyl5oxo145678hexahydroquinoline3carbonitrile
4(4ethylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carbonitrile
5712367
CCC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CC(C3)(C)C)C)C#N
CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C#N
InChI=1SC21H24N2Oc15146815(9714)1916(1222)13(2)23171021(34)1118(24)20(17)19h691923H51011H214H3
MFCD00816372
STK029941
ZINC000019761978
ZINC000019761981
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