Vitas-M small molecule compound
ethyl 2-({[1-(pyridin-4-yl)ethyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK457637
SMILES CCOC(=O)c1c(NC(=S)NC(c2ccncc2)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 C21H27N3O2S2 MW 417.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O2S2/c1-3-26-20(25)18-16-8-6-4-5-7-9-17(16)28-19(18)24-21(27)23-14(2)15-10-12-22-13-11-15/h10-14H,3-9H2,1-2H3,(H2,23,24,27)InChIKey
UNCIDJRIZJHXAE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC(C)C3=CC=NC=C3
ethyl2(((1(pyridin4yl)ethyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2(1pyridin4ylethylcarbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC21H27N3O2S2c132620(25)181686457917(16)2819(18)2421(27)2314(2)15101222131115h1014H39H212H3(H2232427)
MFCD05989604
ZINC000002853107
ZINC000013281434
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