Vitas-M small molecule compound
ethyl 2-({[2-(4-bromo-1H-pyrazol-1-yl)ethyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK457410
SMILES CCOC(=O)c1c(NC(=S)NCCn2ncc(c2)Br)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 C18H23BrN4O2S2 MW 471.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23BrN4O2S2/c1-2-25-17(24)15-13-6-4-3-5-7-14(13)27-16(15)22-18(26)20-8-9-23-11-12(19)10-21-23/h10-11H,2-9H2,1H3,(H2,20,22,26)InChIKey
ZEWGZKIOKKUZPL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NCCN3C=C(C=N3)Br
ethyl2(((2(4bromo1Hpyrazol1yl)ethyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(2(4bromopyrazol1yl)ethylcarbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC18H23BrN4O2S2c122517(24)15136435714(13)2716(15)2218(26)2089231112(19)102123h1011H29H21H3(H2202226)
MFCD05117085
ZINC000016361101
ZINC16361101
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