Vitas-M small molecule compound

3-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

Catalog ID
STK315894
SMILES COc1ccc(cc1Cn1nc(c(c1C)Cl)[N+](=O)[O-])C=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 C13H12ClN3O4 MW 309.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12ClN3O4/c1-8-12(14)13(17(19)20)15-16(8)6-10-5-9(7-18)3-4-11(10)21-2/h3-5,7H,6H2,1-2H3
InChIKey
DDRARNXKFVIMTO-UHFFFAOYSA-N
Synonyms
514801-07-1
3((4chloro5methyl3nitro1Hpyrazol1yl)methyl)4methoxybenzaldehyde
3((4CHLORO5METHYL3NITROPYRAZOL1YL)METHYL)4METHOXYBENZALDEHYDE
3((4CHLORO5METHYL3NITROPYRAZOLYL)METHYL)4METHOXYBENZALDEHYDE
514801071
CC1=C(C(=NN1CC2=C(C=CC(=C2)C=O)OC)(N+)(=O)(O))Cl
COc1ccc(cc1Cn1nc(c(c1C)Cl)(N+)(=O)(O))C=O
InChI=1SC13H12ClN3O4c1812(14)13(17(19)20)1516(8)61059(718)3411(10)212h357H6H212H3
MFCD01114927
ZINC000002573197
ZINC02573197
ZINC2573197

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Available files

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