Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-nitro-1H-pyrazole-5-carboxamide
Catalog ID
STK688343
SMILES O=C(c1cc(nn1C)[N+](=O)[O-])NCc1ccc2c(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 C13H12N4O5 MW 304.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O5/c1-16-9(5-12(15-16)17(19)20)13(18)14-6-8-2-3-10-11(4-8)22-7-21-10/h2-5H,6-7H2,1H3,(H,14,18)InChIKey
PNLJOMWTUCWYJR-UHFFFAOYSA-NSynonyms
CN1C(=CC(=N1)(N+)(=O)(O))C(=O)NCC2=CC3=C(C=C2)OCO3
InChI=1SC13H12N4O5c1169(512(1516)17(19)20)13(18)1468231011(48)2272110h25H67H21H3(H1418)
MFCD07657356
N(13benzodioxol5ylmethyl)1methyl3nitro1Hpyrazole5carboxamide
N(13BENZODIOXOL5YLMETHYL)2METHYL5NITROPYRAZOLE3CARBOXAMIDE
N(2HBENZO(34D)13DIOXOLEN5YLMETHYL)(1METHYL3NITROPYRAZOL5YL)CARBOXAMIDE
O=C(c1cc(nn1C)(N+)(=O)(O))NCc1ccc2c(c1)OCO2
ZINC000004772592
ZINC04772592
ZINC4772592
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