Vitas-M small molecule compound
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-nitro-1H-pyrazole-3-carboxamide
Catalog ID
STK306959
SMILES O=C(c1n[nH]cc1[N+](=O)[O-])Nc1cc2OCOc2cc1C(=O)C
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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 C13H10N4O6 MW 318.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N4O6/c1-6(18)7-2-10-11(23-5-22-10)3-8(7)15-13(19)12-9(17(20)21)4-14-16-12/h2-4H,5H2,1H3,(H,14,16)(H,15,19)InChIKey
SYMASFGMRCKSAK-UHFFFAOYSA-NSynonyms
1005649-37-51005649375
CC(=O)C1=CC2=C(C=C1NC(=O)C3=C(C=NN3)(N+)(=O)(O))OCO2
InChI=1SC13H10N4O6c16(18)721011(2352210)38(7)1513(19)129(17(20)21)4141612h24H5H21H3(H1416)(H1519)
MFCD04130353
N(6acetyl13benzodioxol5yl)4nitro1Hpyrazole3carboxamide
N(6acetyl13benzodioxol5yl)4nitro1Hpyrazole5carboxamide
O=C(c1n(nH)cc1(N+)(=O)(O))Nc1cc2OCOc2cc1C(=O)C
ZINC000006262492
ZINC06262492
ZINC6262492
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