Vitas-M small molecule compound

3,3-dimethyl-1-(3-nitro-1H-1,2,4-triazol-1-yl)butan-2-one

Catalog ID
STK278485
SMILES O=C(C(C)(C)C)Cn1cnc(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 C8H12N4O3 MW 212.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H12N4O3/c1-8(2,3)6(13)4-11-5-9-7(10-11)12(14)15/h5H,4H2,1-3H3
InChIKey
CFCOUVPPEUYDGR-UHFFFAOYSA-N
Synonyms
917219-14-8
1(3NITRO1H124TRIAZOL1YL)33DIMETHYL2BUTANONE
33dimethyl1(3nitro124triazol1yl)butan2one
33dimethyl1(3nitro1H124triazol1yl)butan2one
917219148
CC(C)(C)C(=O)CN1C=NC(=N1)(N+)(=O)(O)
InChI=1SC8H12N4O3c18(23)6(13)411597(1011)12(14)15h5H4H213H3
MFCD09269283
O=C(C(C)(C)C)Cn1cnc(n1)(N+)(=O)(O)
ZINC000008295844
ZINC08295844
ZINC8295844

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Available files

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