Vitas-M small molecule compound
azepan-1-yl{5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanone
Catalog ID
STK966003
SMILES O=C(c1ccc(o1)Cn1nc(c(c1C)Cl)[N+](=O)[O-])N1CCCCCC1
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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 C16H19ClN4O4 MW 366.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19ClN4O4/c1-11-14(17)15(21(23)24)18-20(11)10-12-6-7-13(25-12)16(22)19-8-4-2-3-5-9-19/h6-7H,2-5,8-10H2,1H3InChIKey
UUFHDHOBZLCKTG-UHFFFAOYSA-NSynonyms
491828-83-21(5((4CHLORO3NITRO5METHYL1HPYRAZOL1YL)METHYL)2FUROYL)AZEPANE
491828832
azepan1yl(5((4chloro5methyl3nitro1Hpyrazol1yl)methyl)furan2yl)methanone
AZEPAN1YL(5((4CHLORO5METHYL3NITROPYRAZOL1YL)METHYL)FURAN2YL)METHANONE
CC1=C(C(=NN1CC2=CC=C(O2)C(=O)N3CCCCCC3)(N+)(=O)(O))Cl
InChI=1SC16H19ClN4O4c11114(17)15(21(23)24)1820(11)10126713(2512)16(22)1984235919h67H25810H21H3
MFCD03071362
O=C(c1ccc(o1)Cn1nc(c(c1C)Cl)(N+)(=O)(O))N1CCCCCC1
ZINC000002759884
ZINC02759884
ZINC2759884
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