Vitas-M small molecule compound
methyl 2-({[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK437433
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2C)C2CC2)sc2c1CCCC2
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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 C18H22N4O3S2 MW 406.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O3S2/c1-22-15(10-7-8-10)20-21-18(22)26-9-13(23)19-16-14(17(24)25-2)11-5-3-4-6-12(11)27-16/h10H,3-9H2,1-2H3,(H,19,23)InChIKey
HFGKTYFUODFKOY-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C4CC4
InChI=1SC18H22N4O3S2c12215(107810)202118(22)26913(23)191614(17(24)252)11534612(11)2716h10H39H212H3(H1923)
methyl2((((5cyclopropyl4methyl4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((5cyclopropyl4methyl124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03945049
ZINC000007235253
ZINC07235253
ZINC7235253
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