Vitas-M small molecule compound
2-(butylsulfanyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK886398
SMILES CCCCSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)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 C23H28N2O2S MW 396.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O2S/c1-5-6-11-28-22-17(14-24)20(15-7-9-16(27-4)10-8-15)21-18(25-22)12-23(2,3)13-19(21)26/h7-10,20,25H,5-6,11-13H2,1-4H3InChIKey
KZCKONRUUDLMFJ-UHFFFAOYSA-NSynonyms
799786-42-82(butylsulfanyl)4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2(butylthio)4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2butylsulfanyl4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinoline3carbonitrile
799786428
CCCCSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC)C#N
InChI=1SC23H28N2O2Sc15611282217(1424)20(157916(274)10815)2118(2522)1223(23)1319(21)26h7102025H561113H214H3
MFCD03675556
ZINC000020171595
ZINC000020171597
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