Vitas-M small molecule compound
methyl 2-({[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbamothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK455543
SMILES COC(=O)c1c(NC(=S)Nc2ccn(n2)C23CC4CC(C3)CC(C2)C4)sc2c1CCC2
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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 C23H28N4O2S2 MW 456.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O2S2/c1-29-21(28)19-16-3-2-4-17(16)31-20(19)25-22(30)24-18-5-6-27(26-18)23-10-13-7-14(11-23)9-15(8-13)12-23/h5-6,13-15H,2-4,7-12H2,1H3,(H2,24,25,26,30)InChIKey
RBLYDINNZIEKAV-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=NN(C=C3)C45CC6CC(C4)CC(C6)C5
InChI=1SC23H28N4O2S2c12921(28)191632417(16)3120(19)2522(30)24185627(2618)231013714(1123)915(813)1223h561315H24712H21H3(H224252630)
METHYL2((((1ADAMANTANYLPYRAZOL3YL)AMINO)THIOXOMETHYL)AMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
methyl2(((1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)carbamothioyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((1(1ADAMANTYL)PYRAZOL3YL)CARBAMOTHIOYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ZINC000016345768
ZINC16345768
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