Vitas-M small molecule compound
methyl 2-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK436851
SMILES COC(=O)c1c(NC(=S)NCCCn2cncc2)sc2c1CCC(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 C18H24N4O2S2 MW 392.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N4O2S2/c1-12-4-5-13-14(10-12)26-16(15(13)17(23)24-2)21-18(25)20-6-3-8-22-9-7-19-11-22/h7,9,11-12H,3-6,8,10H2,1-2H3,(H2,20,21,25)InChIKey
MVUYVSOPAOCKLW-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NCCCN3C=CN=C3
InChI=1SC18H24N4O2S2c112451314(1012)2616(15(13)17(23)242)2118(25)206382297191122h791112H36810H212H3(H2202125)
methyl2(((3(1Himidazol1yl)propyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2(3imidazol1ylpropylcarbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD03945313
ZINC000005988210
ZINC000005988238
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