Vitas-M small molecule compound
ethyl 2-({[4-(pyridin-2-yl)piperazin-1-yl]carbonothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK456194
SMILES CCOC(=O)c1c(NC(=S)N2CCN(CC2)c2ccccn2)sc2c1CCCCC2
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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 C22H28N4O2S2 MW 444.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O2S2/c1-2-28-21(27)19-16-8-4-3-5-9-17(16)30-20(19)24-22(29)26-14-12-25(13-15-26)18-10-6-7-11-23-18/h6-7,10-11H,2-5,8-9,12-15H2,1H3,(H,24,29)InChIKey
SWQKVXRMOQNUFZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCN(CC3)C4=CC=CC=N4
ethyl2(((4(pyridin2yl)piperazin1yl)carbonothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((4pyridin2ylpiperazine1carbothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC22H28N4O2S2c122821(27)19168435917(16)3020(19)2422(29)26141225(131526)181067112318h671011H25891215H21H3(H2429)
MFCD05060658
ZINC000016346393
ZINC16346393
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