Vitas-M small molecule compound
methyl N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]phenylalaninate
Catalog ID
STL423999
SMILES COC(=O)C(NC(=O)Cn1nc2CCCCCc2cc1=O)Cc1ccccc1
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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 C21H25N3O4 MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4/c1-28-21(27)18(12-15-8-4-2-5-9-15)22-19(25)14-24-20(26)13-16-10-6-3-7-11-17(16)23-24/h2,4-5,8-9,13,18H,3,6-7,10-12,14H2,1H3,(H,22,25)InChIKey
LIVRPLUAEPJVPW-UHFFFAOYSA-NSynonyms
(S)methyl2(2(3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetamido)3phenylpropanoate
COC(=O)(C@@H)(NC(=O)Cn1nc2CCCCCc2cc1=O)Cc1ccccc1
COC(=O)C(CC1=CC=CC=C1)NC(=O)CN2C(=O)C=C3CCCCCC3=N2
InChI=1SC21H25N3O4c12821(27)18(12158425915)2219(25)142420(26)1316106371117(16)2324h245891318H367101214H21H3(H2225)
methyl2((2(3oxo6789tetrahydro5Hcyclohepta(c)pyridazin2yl)acetyl)amino)3phenylpropanoate
methylN((3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetyl)phenylalaninate
MFCD30709118
ZINC000218146760
ZINC000252537482
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