Vitas-M small molecule compound

methyl 2-({[4-(4-methylquinolin-2-yl)piperazin-1-yl]carbonothioyl}amino)benzoate

Catalog ID
STK639624
SMILES COC(=O)c1ccccc1NC(=S)N1CCN(CC1)c1cc(C)c2c(n1)cccc2

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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 C23H24N4O2S MW 420.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O2S/c1-16-15-21(24-19-9-5-3-7-17(16)19)26-11-13-27(14-12-26)23(30)25-20-10-6-4-8-18(20)22(28)29-2/h3-10,15H,11-14H2,1-2H3,(H,25,30)
InChIKey
QCFASDLWVXJYLR-UHFFFAOYSA-N
Synonyms
1010891-96-9
1010891969
CC1=CC(=NC2=CC=CC=C12)N3CCN(CC3)C(=S)NC4=CC=CC=C4C(=O)OC
InChI=1SC23H24N4O2Sc1161521(2419953717(16)19)26111327(141226)23(30)25201064818(20)22(28)292h31015H1114H212H3(H2530)
methyl2(((4(4methylquinolin2yl)piperazin1yl)carbonothioyl)amino)benzoate
methyl2((4(4methylquinolin2yl)piperazine1carbothioyl)amino)benzoate
methyl2(4(4methylquinolin2yl)piperazine1carbothioamido)benzoate
MFCD12201969
ZINC000012324454
ZINC12324454

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.