Vitas-M small molecule compound

1-(3,4-dichlorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)-1H-pyrazole

Catalog ID
STK376727
SMILES Cc1nn(c(c1c1cccc(c1)[N+](=O)[O-])C)c1ccc(c(c1)Cl)Cl

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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 C17H13Cl2N3O2 MW 362.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13Cl2N3O2/c1-10-17(12-4-3-5-14(8-12)22(23)24)11(2)21(20-10)13-6-7-15(18)16(19)9-13/h3-9H,1-2H3
InChIKey
NUTLVDNMXHSGAY-UHFFFAOYSA-N
Synonyms
5791-70-8
1(34dichlorophenyl)35dimethyl4(3nitrophenyl)1Hpyrazole
1(34DICHLOROPHENYL)35DIMETHYL4(3NITROPHENYL)PYRAZOLE
5791708
CC1=C(C(=NN1C2=CC(=C(C=C2)Cl)Cl)C)C3=CC(=CC=C3)(N+)(=O)(O)
Cc1nn(c(c1c1cccc(c1)(N+)(=O)(O))C)c1ccc(c(c1)Cl)Cl
InChI=1SC17H13Cl2N3O2c11017(1243514(812)22(23)24)11(2)21(2010)136715(18)16(19)913h39H12H3
MFCD01363727
ZINC000001205631
ZINC01205631
ZINC1205631

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.