Vitas-M small molecule compound
methyl 2-{[(1,5-dimethyl-1H-pyrazol-3-yl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK447436
SMILES COC(=O)c1c(NC(=S)Nc2nn(c(c2)C)C)sc2c1CCCCC2
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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 C17H22N4O2S2 MW 378.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O2S2/c1-10-9-13(20-21(10)2)18-17(24)19-15-14(16(22)23-3)11-7-5-4-6-8-12(11)25-15/h9H,4-8H2,1-3H3,(H2,18,19,20,24)InChIKey
MTTNRULVIZKUDV-UHFFFAOYSA-NSynonyms
CC1=CC(=NN1C)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC
InChI=1SC17H22N4O2S2c110913(2021(10)2)1817(24)191514(16(22)233)117546812(11)2515h9H48H213H3(H218192024)
methyl2(((15dimethyl1Hpyrazol3yl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((15dimethylpyrazol3yl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD04059847
ZINC000006787313
ZINC06787313
ZINC6787313
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Check stock on Vitas-MAvailable files
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