Vitas-M small molecule compound
6-tert-butyl-N-cyclohexyl-2-{[(E)-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK449701
SMILES Cn1nc(c(c1)/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCC(C2)C(C)(C)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 C25H36N4OS MW 440.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36N4OS/c1-16-17(15-29(5)28-16)14-26-24-22(23(30)27-19-9-7-6-8-10-19)20-12-11-18(25(2,3)4)13-21(20)31-24/h14-15,18-19H,6-13H2,1-5H3,(H,27,30)/b26-14+InChIKey
SVHWGRXZNDGIFN-VULFUBBASA-NSynonyms
6tertbutylNcyclohexyl2(((E)(13dimethyl1Hpyrazol4yl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutylNcyclohexyl2((E)(13dimethylpyrazol4yl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
CC1=NN(C=C1C=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)NC4CCCCC4)C
Cn1nc(c(c1)C=Nc1sc2c(c1C(=O)NC1CCCCC1)CCC(C2)C(C)(C)C)C
InChI=1SC25H36N4OSc11617(1529(5)2816)14262422(23(30)271997681019)20121118(25(23)4)1321(20)3124h14151819H613H215H3(H2730)b2614+
MFCD03467589
ZINC000002112732
ZINC000002112737
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