Vitas-M small molecule compound
dimethyl 2-({[4-(3-chlorophenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate
Catalog ID
STL139334
SMILES COC(=O)c1ccc(cc1NC(=S)N1CCN(CC1)c1cccc(c1)Cl)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 C21H22ClN3O4S MW 447.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O4S/c1-28-19(26)14-6-7-17(20(27)29-2)18(12-14)23-21(30)25-10-8-24(9-11-25)16-5-3-4-15(22)13-16/h3-7,12-13H,8-11H2,1-2H3,(H,23,30)InChIKey
AYEIJIOEFAOTHA-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl
dimethyl2(((4(3chlorophenyl)piperazin1yl)carbonothioyl)amino)benzene14dicarboxylate
DIMETHYL2(((4(3CHLOROPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)AMINO)TEREPHTHALATE
dimethyl2((4(3chlorophenyl)piperazine1carbothioyl)amino)benzene14dicarboxylate
InChI=1SC21H22ClN3O4Sc12819(26)146717(20(27)292)18(1214)2321(30)2510824(91125)1653415(22)1316h371213H811H212H3(H2330)
MFCD06150107
ZINC000004767783
ZINC4767783
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