Vitas-M small molecule compound

2-methyl-5-nitro-4-(2-oxopropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Catalog ID
STK002222
SMILES CC(=O)Cn1c(nn(c1=O)C)[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 C6H8N4O4 MW 200.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H8N4O4/c1-4(11)3-9-5(10(13)14)7-8(2)6(9)12/h3H2,1-2H3
InChIKey
UNYRKYCFIIIKJZ-UHFFFAOYSA-N
Synonyms
500192-17-6
2METHYL5NITRO4(2OXOPROPYL)124TRIAZOL3ONE
2METHYL5NITRO4(2OXOPROPYL)24DIHYDRO(124)TRIAZOL3ONE
2METHYL5NITRO4(2OXOPROPYL)24DIHYDRO3H124TRIAZOL3ONE
500192176
CC(=O)CN1C(=NN(C1=O)C)(N+)(=O)(O)
CC(=O)Cn1c(nn(c1=O)C)(N+)(=O)(O)
InChI=1SC6H8N4O4c14(11)395(10(13)14)78(2)6(9)12h3H212H3
MFCD03042712
STK002222
ZINC000005027350
ZINC05027350
ZINC5027350

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Available files

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