Vitas-M small molecule compound
2-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-oxo-4-{[6-(trifluoromethyl)pyridin-3-yl]amino}butanoic acid
Catalog ID
STL249755
SMILES OCCN1CCN(CC1)CC(C(=O)O)CC(=O)Nc1ccc(nc1)C(F)(F)F
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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 C17H23F3N4O4 MW 404.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23F3N4O4/c18-17(19,20)14-2-1-13(10-21-14)22-15(26)9-12(16(27)28)11-24-5-3-23(4-6-24)7-8-25/h1-2,10,12,25H,3-9,11H2,(H,22,26)(H,27,28)InChIKey
HXJYTXLIORHDET-UHFFFAOYSA-NSynonyms
1374512-53-41374512534
2((4(2hydroxyethyl)piperazin1yl)methyl)4oxo4((6(trifluoromethyl)pyridin3yl)amino)butanoicacid
C1CN(CCN1CCO)CC(CC(=O)NC2=CN=C(C=C2)C(F)(F)F)C(=O)O
InChI=1SC17H23F3N4O4c1817(1920)142113(102114)2215(26)912(16(27)28)11245323(4624)7825h12101225H3911H2(H2226)(H2728)
MFCD22202040
ZINC000072403234
ZINC000072403235
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