Vitas-M small molecule compound

methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate

Catalog ID
STK674723
SMILES COC(=O)c1nnn(c1CN1CCN(CC1)C)c1nonc1N

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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 C12H18N8O3 MW 322.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N8O3/c1-18-3-5-19(6-4-18)7-8-9(12(21)22-2)14-17-20(8)11-10(13)15-23-16-11/h3-7H2,1-2H3,(H2,13,15)
InChIKey
XPSOUMRLTPTVAN-UHFFFAOYSA-N
Synonyms
341501-35-7
341501357
CN1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)OC
InChI=1SC12H18N8O3c1183519(6418)789(12(21)222)141720(8)1110(13)15231611h37H212H3(H21315)
METHYL1(4AMINO(125OXADIAZOL3YL))5((4METHYLPIPERAZINYL)METHYL)123TRIAZOLE4CARBOXYLATE
METHYL1(4AMINO125OXADIAZOL3YL)5((4METHYL1PIPERAZINYL)METHYL)1H123TRIAZOLE4CARBOXYLATE
methyl1(4amino125oxadiazol3yl)5((4methylpiperazin1yl)methyl)1H123triazole4carboxylate
METHYL1(4AMINO125OXADIAZOL3YL)5((4METHYLPIPERAZIN1YL)METHYL)TRIAZOLE4CARBOXYLATE
METHYL1(4AMINO125OXADIAZOL3YL)5((4METHYLPIPERAZINO)METHYL)1H123TRIAZOLE4CARBOXYLATE
MFCD01460428
ZINC000019798199
ZINC19798199

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Available files

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