Vitas-M small molecule compound
4-{[2-(methoxycarbonyl)thiophen-3-yl]amino}-4-oxo-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}butanoic acid
Catalog ID
STL159730
SMILES COC(=O)c1sccc1NC(=O)CC(C(=O)O)CN1CCN(CC1)c1ccccn1
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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 C20H24N4O5S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O5S/c1-29-20(28)18-15(5-11-30-18)22-17(25)12-14(19(26)27)13-23-7-9-24(10-8-23)16-4-2-3-6-21-16/h2-6,11,14H,7-10,12-13H2,1H3,(H,22,25)(H,26,27)InChIKey
CEAUVEBGJXBDDC-UHFFFAOYSA-NSynonyms
1324082-79-21324082792
4((2(methoxycarbonyl)thiophen3yl)amino)4oxo2((4(pyridin2yl)piperazin1yl)methyl)butanoicacid
4((2methoxycarbonylthiophen3yl)amino)4oxo2((4pyridin2ylpiperazin1yl)methyl)butanoicacid
COC(=O)C1=C(C=CS1)NC(=O)CC(CN2CCN(CC2)C3=CC=CC=N3)C(=O)O
InChI=1SC20H24N4O5Sc12920(28)1815(5113018)2217(25)1214(19(26)27)13237924(10823)1642362116h261114H7101213H21H3(H2225)(H2627)
MFCD19709821
ZINC000071282637
ZINC000071282638
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