Vitas-M small molecule compound
4-(4-methoxyphenyl)-7,7-dimethyl-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK895589
SMILES COc1ccc(cc1)C1C(=C(SC)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 C20H22N2O2S MW 354.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O2S/c1-20(2)9-15-18(16(23)10-20)17(14(11-21)19(22-15)25-4)12-5-7-13(24-3)8-6-12/h5-8,17,22H,9-10H2,1-4H3InChIKey
NIHFUXAUBHQZRT-UHFFFAOYSA-NSynonyms
612054-27-04(4methoxyphenyl)77dimethyl2(methylsulfanyl)5oxo145678hexahydroquinoline3carbonitrile
4(4methoxyphenyl)77dimethyl2(methylthio)5oxo145678hexahydroquinoline3carbonitrile
4(4methoxyphenyl)77dimethyl2methylsulfanyl5oxo1468tetrahydroquinoline3carbonitrile
612054270
CC1(CC2=C(C(C(=C(N2)SC)C#N)C3=CC=C(C=C3)OC)C(=O)C1)C
InChI=1SC20H22N2O2Sc120(2)91518(16(23)1020)17(14(1121)19(2215)254)125713(243)8612h581722H910H214H3
MFCD03683257
ZINC000001471962
ZINC000001471963
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Check stock on Vitas-MAvailable files
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