Vitas-M small molecule compound

5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide

Catalog ID
STK915281
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)c1ccc(o1)Cn1nc(c(c1C)Cl)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 C18H17ClN4O5 MW 404.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN4O5/c1-10-17(19)11(2)22(21-10)9-13-5-7-16(28-13)18(24)20-14-6-4-12(27-3)8-15(14)23(25)26/h4-8H,9H2,1-3H3,(H,20,24)
InChIKey
BLCBOQLHSIOLAD-UHFFFAOYSA-N
Synonyms
489408-41-5
489408415
5((4CHLORO35DIMETHYL1HPYRAZOL1YL)METHYL)N(2NITRO4METHOXYPHENYL)2FURAMIDE
5((4chloro35dimethyl1Hpyrazol1yl)methyl)N(4methoxy2nitrophenyl)furan2carboxamide
5((4CHLORO35DIMETHYLPYRAZOL1YL)METHYL)N(4METHOXY2NITROPHENYL)FURAN2CARBOXAMIDE
CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=C(C=C(C=C3)OC)(N+)(=O)(O))C)Cl
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)c1ccc(o1)Cn1nc(c(c1C)Cl)C
InChI=1SC18H17ClN4O5c11017(19)11(2)22(2110)9135716(2813)18(24)20146412(273)815(14)23(25)26h48H9H213H3(H2024)
MFCD02174047
ZINC000006184320
ZINC06184320
ZINC6184320

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Available files

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