Vitas-M small molecule compound
N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide
Catalog ID
STL391237
SMILES Cn1nc(c(c1)[N+](=O)[O-])C(=O)N/N=C/c1ccc2c(c1)OCO2
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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/c1-17-6-9(18(20)21)12(16-17)13(19)15-14-5-8-2-3-10-11(4-8)23-7-22-10/h2-6H,7H2,1H3,(H,15,19)/b14-5+InChIKey
BJRCWOCTXWMQRY-LHHJGKSTSA-NSynonyms
350590-12-4350590124
CN1C=C(C(=N1)C(=O)NN=CC2=CC3=C(C=C2)OCO3)(N+)(=O)(O)
Cn1nc(c(c1)(N+)(=O)(O))C(=O)NN=Cc1ccc2c(c1)OCO2
InChI=1SC13H11N5O5c11769(18(20)21)12(1617)13(19)151458231011(48)2372210h26H7H21H3(H1519)b145+
MFCD01243671
N((E)13benzodioxol5ylmethylidene)1methyl4nitro1Hpyrazole3carbohydrazide
N((E)13BENZODIOXOL5YLMETHYLIDENEAMINO)1METHYL4NITROPYRAZOLE3CARBOXAMIDE
N(13BENZODIOXOL5YLMETHYLENE)4NITRO1METHYL1HPYRAZOLE3CARBOHYDRAZIDE
ZINC000000482904
ZINC33318416
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