Vitas-M small molecule compound
3-methyl-N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1H-pyrazole-5-carbohydrazide
Catalog ID
STK249218
SMILES Cc1n[nH]c(c1)C(=O)N/N=C/c1cc2OCOc2cc1[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 C13H11N5O5 MW 317.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N5O5/c1-7-2-9(16-15-7)13(19)17-14-5-8-3-11-12(23-6-22-11)4-10(8)18(20)21/h2-5H,6H2,1H3,(H,15,16)(H,17,19)/b14-5+InChIKey
BIKDOHKSXGFZBG-LHHJGKSTSA-NSynonyms
3methylN((E)(6nitro13benzodioxol5yl)methylidene)1Hpyrazole5carbohydrazide
5methylN((E)(6nitro13benzodioxol5yl)methylideneamino)1Hpyrazole3carboxamide
CC1=CC(=NN1)C(=O)NN=CC2=CC3=C(C=C2(N+)(=O)(O))OCO3
Cc1n(nH)c(c1)C(=O)NN=Cc1cc2OCOc2cc1(N+)(=O)(O)
InChI=1SC13H11N5O5c1729(16157)13(19)17145831112(2362211)410(8)18(20)21h25H6H21H3(H1516)(H1719)b145+
MFCD00301133
ZINC000000257689
ZINC103347685
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