Vitas-M small molecule compound
4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK373598
SMILES N#CC1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC)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 C21H24N2O3 MW 352.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O3/c1-12-14(11-22)19(13-6-7-17(25-4)18(8-13)26-5)20-15(23-12)9-21(2,3)10-16(20)24/h6-8,19,23H,9-10H2,1-5H3InChIKey
CDSAXHHGZVNPFD-UHFFFAOYSA-NSynonyms
4(34dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carbonitrile
4(34dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carbonitrile
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)OC)C#N
InChI=1SC21H24N2O3c11214(1122)19(136717(254)18(813)265)2015(2312)921(23)1016(20)24h681923H910H215H3
MFCD00785481
ZINC000000632716
ZINC000000632720
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