Vitas-M small molecule compound
2-{[4-(3-chlorobenzyl)piperazin-1-yl]methyl}-4-{[2-(methoxycarbonyl)thiophen-3-yl]amino}-4-oxobutanoic acid
Catalog ID
STL251991
SMILES COC(=O)c1sccc1NC(=O)CC(C(=O)O)CN1CCN(CC1)Cc1cccc(c1)Cl
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H26ClN3O5S MW 479.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClN3O5S/c1-31-22(30)20-18(5-10-32-20)24-19(27)12-16(21(28)29)14-26-8-6-25(7-9-26)13-15-3-2-4-17(23)11-15/h2-5,10-11,16H,6-9,12-14H2,1H3,(H,24,27)(H,28,29)InChIKey
DGZFZNKIZADMJQ-UHFFFAOYSA-NSynonyms
1324065-16-81324065168
2((4((3chlorophenyl)methyl)piperazin1yl)methyl)4((2methoxycarbonylthiophen3yl)amino)4oxobutanoicacid
2((4(3chlorobenzyl)piperazin1yl)methyl)4((2(methoxycarbonyl)thiophen3yl)amino)4oxobutanoicacid
COC(=O)C1=C(C=CS1)NC(=O)CC(CN2CCN(CC2)CC3=CC(=CC=C3)Cl)C(=O)O
InChI=1SC22H26ClN3O5Sc13122(30)2018(5103220)2419(27)1216(21(28)29)14268625(7926)131532417(23)1115h25101116H691214H21H3(H2427)(H2829)
MFCD19710910
ZINC000071284231
ZINC000071284232
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