Vitas-M small molecule compound
5-nitro-2-(4H-1,2,4-triazol-4-ylimino)dihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK996448
SMILES O=C1N/C(=N/n2cnnc2)/NC(=O)C1[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 C6H5N7O4 MW 239.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H5N7O4/c14-4-3(13(16)17)5(15)10-6(9-4)11-12-1-7-8-2-12/h1-3H,(H2,9,10,11,14,15)InChIKey
YFFPORYWKMIDGP-UHFFFAOYSA-NSynonyms
5nitro2(124triazol4ylamino)1Hpyrimidine46dione
5nitro2(4H124triazol4ylimino)dihydropyrimidine46(1H5H)dione
C1=NN=CN1NC2=NC(=O)C(C(=O)N2)(N+)(=O)(O)
InChI=1SC6H5N7O4c1443(13(16)17)5(15)106(94)1112178212h13H(H2910111415)
MFCD01907463
O=C1NC(=Nn2cnnc2)NC(=O)C1(N+)(=O)(O)
ZINC000102978999
ZINC102978999
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