Vitas-M small molecule compound
2-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-{[2-(methoxycarbonyl)thiophen-3-yl]amino}-4-oxobutanoic acid
Catalog ID
STL158949
SMILES OCCN1CCN(CC1)CC(C(=O)O)CC(=O)Nc1ccsc1C(=O)OC
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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 C17H25N3O6S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25N3O6S/c1-26-17(25)15-13(2-9-27-15)18-14(22)10-12(16(23)24)11-20-5-3-19(4-6-20)7-8-21/h2,9,12,21H,3-8,10-11H2,1H3,(H,18,22)(H,23,24)InChIKey
USUMGNNBKDHXHD-UHFFFAOYSA-NSynonyms
1324076-40-51324076405
2((4(2hydroxyethyl)piperazin1yl)methyl)4((2(methoxycarbonyl)thiophen3yl)amino)4oxobutanoicacid
2((4(2hydroxyethyl)piperazin1yl)methyl)4((2methoxycarbonylthiophen3yl)amino)4oxobutanoicacid
COC(=O)C1=C(C=CS1)NC(=O)CC(CN2CCN(CC2)CCO)C(=O)O
InChI=1SC17H25N3O6Sc12617(25)1513(292715)1814(22)1012(16(23)24)11205319(4620)7821h291221H381011H21H3(H1822)(H2324)
MFCD19710419
ZINC000071283539
ZINC000071283540
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