Vitas-M small molecule compound
6-tert-butyl-N-cyclohexyl-2-{[(E)-(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK449705
SMILES CCn1ncc(c1C)/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCC(C2)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 C26H38N4OS MW 454.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38N4OS/c1-6-30-17(2)18(16-28-30)15-27-25-23(24(31)29-20-10-8-7-9-11-20)21-13-12-19(26(3,4)5)14-22(21)32-25/h15-16,19-20H,6-14H2,1-5H3,(H,29,31)/b27-15+InChIKey
FMNNHNSMSSGZIG-JFLMPSFJSA-NSynonyms
6tertbutylNcyclohexyl2(((E)(1ethyl5methyl1Hpyrazol4yl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutylNcyclohexyl2((E)(1ethyl5methylpyrazol4yl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
CCN1C(=C(C=N1)C=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)NC4CCCCC4)C
CCn1ncc(c1C)C=Nc1sc2c(c1C(=O)NC1CCCCC1)CCC(C2)C(C)(C)C
InChI=1SC26H38N4OSc163017(2)18(162830)15272523(24(31)2920108791120)21131219(26(34)5)1422(21)3225h15161920H614H215H3(H2931)b2715+
MFCD03468067
ZINC000002731731
ZINC000002731733
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