Vitas-M small molecule compound

ethyl 4-{[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]amino}benzoate

Catalog ID
STK767792
SMILES CCOC(=O)c1ccc(cc1)NCn1cnc(n1)[N+](=O)[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 C12H13N5O4 MW 291.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N5O4/c1-2-21-11(18)9-3-5-10(6-4-9)13-7-16-8-14-12(15-16)17(19)20/h3-6,8,13H,2,7H2,1H3
InChIKey
WLHWAROPPKVONV-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NCN2C=NC(=N2)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)NCn1cnc(n1)(N+)(=O)(O)
ETHYL4(((3NITRO124TRIAZOLYL)METHYL)AMINO)BENZOATE
ethyl4(((3nitro1H124triazol1yl)methyl)amino)benzoate
ETHYL4((3NITRO124TRIAZOL1YL)METHYLAMINO)BENZOATE
InChI=1SC12H13N5O4c122111(18)93510(649)1371681412(1516)17(19)20h36813H27H21H3
MFCD03308207
ZINC000000045652
ZINC00045652
ZINC45652

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Available files

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