Vitas-M small molecule compound

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

Catalog ID
STK757622
SMILES CCOC(=O)c1ccc(cc1)NCc1c(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 C17H19N7O5 MW 401.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N7O5/c1-3-27-16(25)10-5-7-11(8-6-10)19-9-12-13(17(26)28-4-2)20-23-24(12)15-14(18)21-29-22-15/h5-8,19H,3-4,9H2,1-2H3,(H2,18,21)
InChIKey
VZALHWFVGPEZET-UHFFFAOYSA-N
Synonyms
296790-47-1
296790471
CCOC(=O)C1=CC=C(C=C1)NCC2=C(N=NN2C3=NON=C3N)C(=O)OCC
ETHYL1(4AMINO125OXADIAZOL3YL)5(((4(ETHOXYCARBONYL)PHENYL)AMINO)METHYL)123TRIAZOLE4CARBOXYLATE
ethyl1(4amino125oxadiazol3yl)5(((4(ethoxycarbonyl)phenyl)amino)methyl)1H123triazole4carboxylate
ETHYL1(4AMINO125OXADIAZOL3YL)5((4ETHOXYCARBONYLANILINO)METHYL)TRIAZOLE4CARBOXYLATE
ETHYL4(((1(4AMINO(125OXADIAZOL3YL))4(ETHOXYCARBONYL)123TRIAZOL5YL)METHYL)AMINO)BENZOATE
ETHYL4(((1(4AMINO125OXADIAZOL3YL)4(ETHOXYCARBONYL)1H123TRIAZOL5YL)METHYL)AMINO)BENZOATE
InChI=1SC17H19N7O5c132716(25)105711(8610)1991213(17(26)2842)202324(12)1514(18)21292215h5819H349H212H3(H21821)
MFCD01306267
ZINC000002025382
ZINC02025382
ZINC2025382

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Available files

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