Vitas-M small molecule compound
ethyl 2-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK438534
SMILES CCOC(=O)c1c(NC(=S)NCCCn2ccnc2)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 C20H28N4O2S2 MW 420.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O2S2/c1-2-26-19(25)17-15-8-5-3-4-6-9-16(15)28-18(17)23-20(27)22-10-7-12-24-13-11-21-14-24/h11,13-14H,2-10,12H2,1H3,(H2,22,23,27)InChIKey
XSORMCQVSOWVEW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NCCCN3C=CN=C3
ethyl2(((3(1Himidazol1yl)propyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2(3imidazol1ylpropylcarbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC20H28N4O2S2c122619(25)171585346916(15)2818(17)2320(27)2210712241311211424h111314H21012H21H3(H2222327)
MFCD03945497
ZINC000005919803
ZINC05919803
ZINC5919803
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