Vitas-M small molecule compound
ethyl 6-methyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK829944
SMILES C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)CCC(C2)C
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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 C16H22N2O2S2 MW 338.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2O2S2/c1-4-8-17-16(21)18-14-13(15(19)20-5-2)11-7-6-10(3)9-12(11)22-14/h4,10H,1,5-9H2,2-3H3,(H2,17,18,21)InChIKey
IMYZWLVKODBMAE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NCC=C
ethyl2(3allylthioureido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
ethyl6methyl2((prop2en1ylcarbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2(prop2enylcarbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC16H22N2O2S2c1481716(21)181413(15(19)2052)117610(3)912(11)2214h410H159H223H3(H2171821)
MFCD02236480
ZINC000002071934
ZINC000002071935
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Check stock on Vitas-MAvailable files
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