Vitas-M small molecule compound
methyl 2-[({[4-methyl-5-(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate
Catalog ID
STK469901
SMILES COC(=O)c1ccsc1NC(=O)CSc1nnc(n1C)CC12CC3CC(C2)CC(C1)C3
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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 C22H28N4O3S2 MW 460.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O3S2/c1-26-17(11-22-8-13-5-14(9-22)7-15(6-13)10-22)24-25-21(26)31-12-18(27)23-19-16(3-4-30-19)20(28)29-2/h3-4,13-15H,5-12H2,1-2H3,(H,23,27)InChIKey
USOQZQLTANWVEA-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C(=O)OC)CC34CC5CC(C3)CC(C5)C4
InChI=1SC22H28N4O3S2c12617(1122813514(922)715(613)1022)242521(26)311218(27)231916(343019)20(28)292h341315H512H212H3(H2327)
methyl2((((4methyl5(tricyclo(3311~37~)dec1ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
methyl2((2((5(1adamantylmethyl)4methyl124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
ZINC000020427627
ZINC20427627
Check stock
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Check stock on Vitas-MAvailable files
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