Vitas-M small molecule compound
dimethyl 2-({[4-(4-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate
Catalog ID
STL139333
SMILES COC(=O)c1ccc(cc1NC(=S)N1CCN(CC1)c1ccc(cc1)F)C(=O)OC
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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 C21H22FN3O4S MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN3O4S/c1-28-19(26)14-3-8-17(20(27)29-2)18(13-14)23-21(30)25-11-9-24(10-12-25)16-6-4-15(22)5-7-16/h3-8,13H,9-12H2,1-2H3,(H,23,30)InChIKey
FOMQCSCCKRHSED-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F
dimethyl2(((4(4fluorophenyl)piperazin1yl)carbonothioyl)amino)benzene14dicarboxylate
DIMETHYL2(((4(4FLUOROPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)AMINO)TEREPHTHALATE
dimethyl2((4(4fluorophenyl)piperazine1carbothioyl)amino)benzene14dicarboxylate
InChI=1SC21H22FN3O4Sc12819(26)143817(20(27)292)18(1314)2321(30)2511924(101225)166415(22)5716h3813H912H212H3(H2330)
MFCD06150106
ZINC000004767811
ZINC4767811
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