Vitas-M small molecule compound

ethyl 1-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]methyl}piperidine-4-carboxylate

Catalog ID
STK672828
SMILES CCOC(=O)C1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)OCC

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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 C16H23N7O5 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N7O5/c1-3-26-15(24)10-5-7-22(8-6-10)9-11-12(16(25)27-4-2)18-21-23(11)14-13(17)19-28-20-14/h10H,3-9H2,1-2H3,(H2,17,19)
InChIKey
YBOGKFPDZGDFCG-UHFFFAOYSA-N
Synonyms

1(3(4AMINOFURAZAN3YL)5ETHOXYCARBONYL3H(123)TRIAZOL4YLMETHYL)PIPERIDINE4CARBOXYLICACIDETHYLESTER
CCOC(=O)C1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)OCC
ETHYL1((1(4AMINO(125OXADIAZOL3YL))4(ETHOXYCARBONYL)123TRIAZOL5YL)METHYL)PIPERIDINE4CARBOXYLATE
ETHYL1((1(4AMINO125OXADIAZOL3YL)4(ETHOXYCARBONYL)1H123TRIAZOL5YL)METHYL)4PIPERIDINECARBOXYLATE
ethyl1((1(4amino125oxadiazol3yl)4(ethoxycarbonyl)1H123triazol5yl)methyl)piperidine4carboxylate
ETHYL1((3(4AMINO125OXADIAZOL3YL)5ETHOXYCARBONYLTRIAZOL4YL)METHYL)PIPERIDINE4CARBOXYLATE
InChI=1SC16H23N7O5c132615(24)105722(8610)91112(16(25)2742)182123(11)1413(17)19282014h10H39H212H3(H21719)
MFCD00826372
ZINC000054954691
ZINC54954691

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Available files

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