Vitas-M small molecule compound
(5Z)-3-cyclohexyl-1-methyl-5-[3-methyl-4-(pyrrolidin-1-yl)benzylidene]-2-thioxoimidazolidin-4-one
Catalog ID
STL375123
SMILES S=C1N(C2CCCCC2)C(=O)/C(=C/c2ccc(c(c2)C)N2CCCC2)/N1C
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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 C22H29N3OS MW 383.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3OS/c1-16-14-17(10-11-19(16)24-12-6-7-13-24)15-20-21(26)25(22(27)23(20)2)18-8-4-3-5-9-18/h10-11,14-15,18H,3-9,12-13H2,1-2H3/b20-15-InChIKey
ITAKUZKATXGXCN-HKWRFOASSA-NSynonyms
(5Z)3CYCLOHEXYL1METHYL5((3METHYL4PYRROLIDIN1YLPHENYL)METHYLIDENE)2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)3cyclohexyl1methyl5(3methyl4(pyrrolidin1yl)benzylidene)2thioxoimidazolidin4one
CC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N2C)C3CCCCC3)N4CCCC4
InChI=1SC22H29N3OSc1161417(101119(16)2412671324)152021(26)25(22(27)23(20)2)188435918h1011141518H391213H212H3b2015
MFCD04062509
S=C1N(C2CCCCC2)C(=O)C(=Cc2ccc(c(c2)C)N2CCCC2)N1C
ZINC000003662708
ZINC03662708
ZINC3662708
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