Vitas-M small molecule compound

2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-5-nitrobenzamide

Catalog ID
STK425261
SMILES CCn1ncc(c1)CNC(=O)c1cc(ccc1Cl)[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 C13H13ClN4O3 MW 308.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13ClN4O3/c1-2-17-8-9(7-16-17)6-15-13(19)11-5-10(18(20)21)3-4-12(11)14/h3-5,7-8H,2,6H2,1H3,(H,15,19)
InChIKey
YYGHYWJQDLEQOQ-UHFFFAOYSA-N
Synonyms
525577-34-8
(2CHLORO5NITROPHENYL)N((1ETHYLPYRAZOL4YL)METHYL)CARBOXAMIDE
2chloroN((1ethyl1Hpyrazol4yl)methyl)5nitrobenzamide
2CHLORON((1ETHYLPYRAZOL4YL)METHYL)5NITROBENZAMIDE
525577348
CCN1C=C(C=N1)CNC(=O)C2=C(C=CC(=C2)(N+)(=O)(O))Cl
CCn1ncc(c1)CNC(=O)c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC13H13ClN4O3c121789(71617)61513(19)11510(18(20)21)3412(11)14h3578H26H21H3(H1519)
MFCD02375157
ZINC000000373002
ZINC00373002
ZINC373002

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Available files

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