Vitas-M small molecule compound
methyl 3-{[(2,2-dimethylpropanoyl)carbamothioyl]amino}-4-(4-methylpiperazin-1-yl)benzoate
Catalog ID
STL087626
SMILES COC(=O)c1ccc(c(c1)NC(=S)NC(=O)C(C)(C)C)N1CCN(CC1)C
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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 C19H28N4O3S MW 392.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28N4O3S/c1-19(2,3)17(25)21-18(27)20-14-12-13(16(24)26-5)6-7-15(14)23-10-8-22(4)9-11-23/h6-7,12H,8-11H2,1-5H3,(H2,20,21,25,27)InChIKey
WAWYCTUOWFEHLN-UHFFFAOYSA-NSynonyms
CC(C)(C)C(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C
InChI=1SC19H28N4O3Sc119(23)17(25)2118(27)20141213(16(24)265)6715(14)2310822(4)91123h6712H811H215H3(H220212527)
methyl3(((22dimethylpropanoyl)carbamothioyl)amino)4(4methylpiperazin1yl)benzoate
methyl3(22dimethylpropanoylcarbamothioylamino)4(4methylpiperazin1yl)benzoate
MFCD07087197
ZINC000016322708
ZINC16322708
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