Vitas-M small molecule compound
methyl 6-methyl-2-({[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK436973
SMILES COC(=O)c1c(NC(=S)Nc2ccn(n2)C23CC4CC(C3)CC(C2)C4)sc2c1CCC(C2)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 C25H32N4O2S2 MW 484.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O2S2/c1-14-3-4-18-19(7-14)33-22(21(18)23(30)31-2)27-24(32)26-20-5-6-29(28-20)25-11-15-8-16(12-25)10-17(9-15)13-25/h5-6,14-17H,3-4,7-13H2,1-2H3,(H2,26,27,28,32)InChIKey
RPUMKQVZSCJJIP-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=NN(C=C3)C45CC6CC(C4)CC(C6)C5
InChI=1SC25H32N4O2S2c114341819(714)3322(21(18)23(30)312)2724(32)26205629(2820)251115816(1225)1017(915)1325h561417H34713H212H3(H226272832)
methyl2((1(1adamantyl)pyrazol3yl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl6methyl2(((1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000020562772
ZINC000020562775
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