Vitas-M small molecule compound
methyl 3-({[4-(3-chlorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate
Catalog ID
STL145356
SMILES COC(=O)c1sccc1NC(=S)N1CCN(CC1)c1cccc(c1)Cl
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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 C17H18ClN3O2S2 MW 395.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClN3O2S2/c1-23-16(22)15-14(5-10-25-15)19-17(24)21-8-6-20(7-9-21)13-4-2-3-12(18)11-13/h2-5,10-11H,6-9H2,1H3,(H,19,24)InChIKey
IPDFDUSZFWUPBM-UHFFFAOYSA-NSynonyms
892272-74-1892272741
COC(=O)C1=C(C=CS1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl
InChI=1SC17H18ClN3O2S2c12316(22)1514(5102515)1917(24)218620(7921)1342312(18)1113h251011H69H21H3(H1924)
methyl3(((4(3chlorophenyl)piperazin1yl)carbonothioyl)amino)thiophene2carboxylate
methyl3((4(3chlorophenyl)piperazine1carbothioyl)amino)thiophene2carboxylate
MFCD14726239
ZINC000004767819
ZINC4767819
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