Vitas-M small molecule compound
N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]valine
Catalog ID
STL159556
SMILES O=C(Cn1nc2CCCCCc2cc1=O)NC(C(=O)O)C(C)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 C16H23N3O4 MW 321.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N3O4/c1-10(2)15(16(22)23)17-13(20)9-19-14(21)8-11-6-4-3-5-7-12(11)18-19/h8,10,15H,3-7,9H2,1-2H3,(H,17,20)(H,22,23)InChIKey
KCRRTSPBAVBYCI-UHFFFAOYSA-NSynonyms
(S)3methyl2(2(3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetamido)butanoicacid
3methyl2((2(3oxo6789tetrahydro5Hcyclohepta(c)pyridazin2yl)acetyl)amino)butanoicacid
CC(C)C(C(=O)O)NC(=O)CN1C(=O)C=C2CCCCCC2=N1
InChI=1SC16H23N3O4c110(2)15(16(22)23)1713(20)91914(21)8116435712(11)1819h81015H379H212H3(H1720)(H2223)
MFCD20758724
N((3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetyl)valine
O=C(Cn1nc2CCCCCc2cc1=O)N(C@H)(C(=O)O)C(C)C
ZINC000049546476
ZINC000071334065
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