Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Catalog ID
STK782621
SMILES O=C(Cn1ncc(c1)[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/c18-13(7-16-6-10(5-15-16)17(19)20)14-4-9-1-2-11-12(3-9)22-8-21-11/h1-3,5-6H,4,7-8H2,(H,14,18)InChIKey
LHSQVBUCVXGYBA-UHFFFAOYSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C=C(C=N3)(N+)(=O)(O)
InChI=1SC13H12N4O5c1813(716610(51516)17(19)20)1449121112(39)2282111h1356H478H2(H1418)
MFCD06017929
N(13benzodioxol5ylmethyl)2(4nitro1Hpyrazol1yl)acetamide
N(13BENZODIOXOL5YLMETHYL)2(4NITROPYRAZOL1YL)ACETAMIDE
O=C(Cn1ncc(c1)(N+)(=O)(O))NCc1ccc2c(c1)OCO2
ZINC000004743067
ZINC04743067
ZINC4743067
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