Vitas-M small molecule compound

dimethyl 5-({[4-(pyridin-2-yl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate

Catalog ID
STK164846
SMILES COC(=O)c1cc(NC(=S)N2CCN(CC2)c2ccccn2)cc(c1)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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-27-18(25)14-11-15(19(26)28-2)13-16(12-14)22-20(29)24-9-7-23(8-10-24)17-5-3-4-6-21-17/h3-6,11-13H,7-10H2,1-2H3,(H,22,29)
InChIKey
NNGBCPQCQGXDDG-UHFFFAOYSA-N
Synonyms
708292-25-5
708292255
COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3)C(=O)OC
DIMETHYL5(((4(2PYRIDINYL)1PIPERAZINYL)CARBONOTHIOYL)AMINO)ISOPHTHALATE
DIMETHYL5(((4(PYRIDIN2YL)PIPERAZIN1YL)CARBONOTHIOYL)AMINO)BENZENE13DICARBOXYLATE
DIMETHYL5((4PYRIDIN2YLPIPERAZINE1CARBOTHIOYL)AMINO)BENZENE13DICARBOXYLATE
dimethyl5(4(pyridin2yl)piperazine1carbothioamido)isophthalate
InChI=1SC20H22N4O4Sc12718(25)141115(19(26)282)1316(1214)2220(29)249723(81024)1753462117h361113H710H212H3(H2229)
METHYL3(METHOXYCARBONYL)5(((4(2PYRIDYL)PIPERAZINYL)THIOXOMETHYL)AMINO)BENZOATE
MFCD05992854
ZINC000100432102
ZINC100432102

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Available files

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