Vitas-M small molecule compound

methyl N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]glycinate

Catalog ID
STL309999
SMILES COC(=O)CNC(=O)Cn1nc2CCCCCc2cc1=O

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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 C14H19N3O4 MW 293.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19N3O4/c1-21-14(20)8-15-12(18)9-17-13(19)7-10-5-3-2-4-6-11(10)16-17/h7H,2-6,8-9H2,1H3,(H,15,18)
InChIKey
BUXYZYKGBMCOPT-UHFFFAOYSA-N
Synonyms
1435994-94-7
1435994947
COC(=O)CNC(=O)CN1C(=O)C=C2CCCCCC2=N1
InChI=1SC14H19N3O4c12114(20)81512(18)91713(19)7105324611(10)1617h7H2689H21H3(H1518)
methyl2((2(3oxo6789tetrahydro5Hcyclohepta(c)pyridazin2yl)acetyl)amino)acetate
methyl2(2(3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetamido)acetate
methylN((3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetyl)glycinate
MFCD23138490
ZINC000095473011
ZINC95473011

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.