Vitas-M small molecule compound
1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
Catalog ID
STK780799
SMILES O=C(n1nc(c(c1C)Cl)C)CCCn1nc(c(c1C)[N+](=O)[O-])C
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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 C14H18ClN5O3 MW 339.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18ClN5O3/c1-8-13(15)10(3)19(17-8)12(21)6-5-7-18-11(4)14(20(22)23)9(2)16-18/h5-7H2,1-4H3InChIKey
YLPZOGKRHUXLMB-UHFFFAOYSA-NSynonyms
1(4chloro35dimethyl1Hpyrazol1yl)4(35dimethyl4nitro1Hpyrazol1yl)butan1one
1(4CHLORO35DIMETHYLPYRAZOL1YL)4(35DIMETHYL4NITROPYRAZOL1YL)BUTAN1ONE
CC1=C(C(=NN1CCCC(=O)N2C(=C(C(=N2)C)Cl)C)C)(N+)(=O)(O)
InChI=1SC14H18ClN5O3c1813(15)10(3)19(178)12(21)6571811(4)14(20(22)23)9(2)1618h57H214H3
MFCD06013667
O=C(n1nc(c(c1C)Cl)C)CCCn1nc(c(c1C)(N+)(=O)(O))C
ZINC000001432151
ZINC01432151
ZINC1432151
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