Vitas-M small molecule compound

azepan-1-yl{1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone

Catalog ID
STK309118
SMILES Clc1cc(ccc1OCn1ccc(n1)C(=O)N1CCCCCC1)[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 C17H19ClN4O4 MW 378.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClN4O4/c18-14-11-13(22(24)25)5-6-16(14)26-12-21-10-7-15(19-21)17(23)20-8-3-1-2-4-9-20/h5-7,10-11H,1-4,8-9,12H2
InChIKey
JYZUKQXNJLPGAY-UHFFFAOYSA-N
Synonyms
1005588-98-6
1005588986
AZAPERHYDROEPINYL1((2CHLORO4NITROPHENOXY)METHYL)PYRAZOL3YLKETONE
azepan1yl(1((2chloro4nitrophenoxy)methyl)1Hpyrazol3yl)methanone
AZEPAN1YL(1((2CHLORO4NITROPHENOXY)METHYL)PYRAZOL3YL)METHANONE
C1CCCN(CC1)C(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)(N+)(=O)(O))Cl
Clc1cc(ccc1OCn1ccc(n1)C(=O)N1CCCCCC1)(N+)(=O)(O)
InChI=1SC17H19ClN4O4c18141113(22(24)25)5616(14)26122110715(1921)17(23)2083124920h571011H148912H2
MFCD04133571
ZINC000002799703
ZINC02799703
ZINC2799703

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Available files

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