Vitas-M small molecule compound
dimethyl 2-({[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate
Catalog ID
STL145370
SMILES COC(=O)c1ccc(cc1NC(=S)N1CCN(CC1)c1cccc(c1C)C)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 C23H27N3O4S MW 441.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O4S/c1-15-6-5-7-20(16(15)2)25-10-12-26(13-11-25)23(31)24-19-14-17(21(27)29-3)8-9-18(19)22(28)30-4/h5-9,14H,10-13H2,1-4H3,(H,24,31)InChIKey
HOYMPTHBCVYMBJ-UHFFFAOYSA-NSynonyms
892271-62-4892271624
CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC)C
dimethyl2(((4(23dimethylphenyl)piperazin1yl)carbonothioyl)amino)benzene14dicarboxylate
dimethyl2((4(23dimethylphenyl)piperazine1carbothioyl)amino)benzene14dicarboxylate
InChI=1SC23H27N3O4Sc11565720(16(15)2)25101226(131125)23(31)24191417(21(27)293)8918(19)22(28)304h5914H1013H214H3(H2431)
MFCD14726227
ZINC000004767813
ZINC4767813
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