Vitas-M small molecule compound
4-(3,4-dimethoxyphenyl)-2-(ethylsulfanyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK075048
SMILES CCSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(c(c1)OC)OC
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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 C22H26N2O3S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O3S/c1-6-28-21-14(12-23)19(13-7-8-17(26-4)18(9-13)27-5)20-15(24-21)10-22(2,3)11-16(20)25/h7-9,19,24H,6,10-11H2,1-5H3InChIKey
CESIGYMZODGMCF-UHFFFAOYSA-NSynonyms
4(34dimethoxyphenyl)2(ethylsulfanyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
4(34dimethoxyphenyl)2ethylsulfanyl77dimethyl5oxo1468tetrahydroquinoline3carbonitrile
CCSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(c(c1)OC)OC
CCSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)OC)C#N
InChI=1SC22H26N2O3Sc16282114(1223)19(137817(264)18(913)275)2015(2421)1022(23)1116(20)25h791924H61011H215H3
MFCD03837884
STK075048
ZINC000006138604
ZINC000006138606
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