Vitas-M small molecule compound
methyl 2-({[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK457526
SMILES COC(=O)c1c(NC(=S)NCc2cc(n(n2)C)C)sc2c1CCCCCC2
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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 C19H26N4O2S2 MW 406.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N4O2S2/c1-12-10-13(22-23(12)2)11-20-19(26)21-17-16(18(24)25-3)14-8-6-4-5-7-9-15(14)27-17/h10H,4-9,11H2,1-3H3,(H2,20,21,26)InChIKey
GHLLYUFIASJPHH-UHFFFAOYSA-NSynonyms
CC1=CC(=NN1C)CNC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC
InChI=1SC19H26N4O2S2c1121013(2223(12)2)112019(26)211716(18(24)253)1486457915(14)2717h10H4911H213H3(H2202126)
methyl2((((15dimethyl1Hpyrazol3yl)methyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((15dimethylpyrazol3yl)methylcarbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD05989952
ZINC000002853829
ZINC02853829
ZINC2853829
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