Vitas-M small molecule compound
dimethyl 2-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)amino]benzene-1,4-dicarboxylate
Catalog ID
STL131429
SMILES COC(=O)c1ccc(cc1NC(=S)N1CCN(CC1)c1cccc(c1)C(F)(F)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 C22H22F3N3O4S MW 481.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F3N3O4S/c1-31-19(29)14-6-7-17(20(30)32-2)18(12-14)26-21(33)28-10-8-27(9-11-28)16-5-3-4-15(13-16)22(23,24)25/h3-7,12-13H,8-11H2,1-2H3,(H,26,33)InChIKey
NXUNCCPABRBSEQ-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
dimethyl2(((4(3(trifluoromethyl)phenyl)piperazin1yl)carbonothioyl)amino)benzene14dicarboxylate
dimethyl2((4(3(trifluoromethyl)phenyl)piperazine1carbothioyl)amino)benzene14dicarboxylate
InChI=1SC22H22F3N3O4Sc13119(29)146717(20(30)322)18(1214)2621(33)2810827(91128)1653415(1316)22(2324)25h371213H811H212H3(H2633)
MFCD14726201
ZINC000004767801
ZINC4767801
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