Vitas-M small molecule compound
methyl 2-{[(4-ethylpiperazin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK437261
SMILES CCN1CCN(CC1)C(=S)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C17H25N3O2S2 MW 367.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25N3O2S2/c1-3-19-8-10-20(11-9-19)17(23)18-15-14(16(21)22-2)12-6-4-5-7-13(12)24-15/h3-11H2,1-2H3,(H,18,23)InChIKey
WHGQADQGMMJZAN-UHFFFAOYSA-NSynonyms
CCN1CCN(CC1)C(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC
InChI=1SC17H25N3O2S2c131981020(11919)17(23)181514(16(21)222)12645713(12)2415h311H212H3(H1823)
methyl2(((4ethylpiperazin1yl)carbonothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4ethylpiperazine1carbothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03944719
ZINC000006654884
ZINC6654884
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