Vitas-M small molecule compound
propan-2-yl 4-{[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]amino}benzoate
Catalog ID
STL154398
SMILES CC(OC(=O)c1ccc(cc1)NC(=O)Cn1nc2CCCCCc2cc1=O)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 C21H25N3O4 MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4/c1-14(2)28-21(27)15-8-10-17(11-9-15)22-19(25)13-24-20(26)12-16-6-4-3-5-7-18(16)23-24/h8-12,14H,3-7,13H2,1-2H3,(H,22,25)InChIKey
BQNRITJRXFLGBP-UHFFFAOYSA-NSynonyms
1282097-04-41282097044
CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=C3CCCCCC3=N2
InChI=1SC21H25N3O4c114(2)2821(27)1581017(11915)2219(25)132420(26)12166435718(16)2324h81214H3713H212H3(H2225)
isopropyl4(2(3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetamido)benzoate
MFCD18800265
propan2yl4(((3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetyl)amino)benzoate
propan2yl4((2(3oxo6789tetrahydro5Hcyclohepta(c)pyridazin2yl)acetyl)amino)benzoate
ZINC000061722052
ZINC61722052
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